(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

C22H27ClN2O2 — CID 152500590

IUPAC(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESCOc1cc(Cl)cc2c1C[C@H](N1CCC[C@@H](N)C1)[C@H]2Oc1ccccc1C
InChIInChI=1S/C22H27ClN2O2/c1-14-6-3-4-8-20(14)27-22-18-10-15(23)11-21(26-2)17(18)12-19(22)25-9-5-7-16(24)13-25/h3-4,6,8,10-11,16,19,22H,5,7,9,12-13,24H2,1-2H3/t16-,19+,22+/m1/s1
InChIKeyYDJNOHQXAKCURE-WVBUVRCRSA-N
MW386.92 g/mol
LogP4.12
Rot. Bonds4

About (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (PubChem CID 152500590) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
PubChem CID152500590
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESCOc1cc(Cl)cc2c1C[C@H](N1CCC[C@@H](N)C1)[C@H]2Oc1ccccc1C
InChIInChI=1S/C22H27ClN2O2/c1-14-6-3-4-8-20(14)27-22-18-10-15(23)11-21(26-2)17(18)12-19(22)25-9-5-7-16(24)13-25/h3-4,6,8,10-11,16,19,22H,5,7,9,12-13,24H2,1-2H3/t16-,19+,22+/m1/s1
InChIKeyYDJNOHQXAKCURE-WVBUVRCRSA-N
XLogP4.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 58393865
(3R)-1-[(1S,2S)-6-chloro-4-fluoro-1-(3-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 172824458
(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 67398110
(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 89091258
1-[2-[2-[3-[4-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]-3-[9-[2-[2-[[4-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]urea
CID 158954772
2-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzonitrile
CID 58394036
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393748
(3R)-1-[(1R,2R)-1-(2-bromo-4-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine;(3R)-1-[(1R,2R)-1-(4-bromophenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine;(3R)-1-[(1R,2R)-1-(4-fluorophenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 89346706
(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393636
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
6-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-7-chloro-3,4-dihydro-1H-quinolin-2-one
CID 67395246
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
CID 58393446

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (CID 152500590) is (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is COc1cc(Cl)cc2c1C[C@H](N1CCC[C@@H](N)C1)[C@H]2Oc1ccccc1C.
What is the InChIKey of (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The InChIKey is YDJNOHQXAKCURE-WVBUVRCRSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-14-6-3-4-8-20(14)27-22-18-10-15(23)11-21(26-2)17(18)12-19(22)25-9-5-7-16(24)13-25/h3-4,6,8,10-11,16,19,22H,5,7,9,12-13,24H2,1-2H3/t16-,19+,22+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine has a molecular weight of 386.92 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is sourced from PubChem (CID 152500590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).