(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

C18H28N2O2 — CID 124843881

IUPAC(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1OC)CC[C@@H]2NCCN1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-21-17-9-7-14-15(18(17)22-2)6-8-16(14)19-10-13-20-11-4-3-5-12-20/h7,9,16,19H,3-6,8,10-13H2,1-2H3/t16-/m0/s1
InChIKeyFIKFVEODADTXTH-INIZCTEOSA-N
MW304.43 g/mol
LogP2.77
Rot. Bonds6

About (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 124843881) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID124843881
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1OC)CC[C@@H]2NCCN1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-21-17-9-7-14-15(18(17)22-2)6-8-16(14)19-10-13-20-11-4-3-5-12-20/h7,9,16,19H,3-6,8,10-13H2,1-2H3/t16-/m0/s1
InChIKeyFIKFVEODADTXTH-INIZCTEOSA-N
XLogP2.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51003104
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
(3aS,9bR)-2-ethyl-6,7-dimethoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 54374242
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
N-[2-(azepan-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981782
2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252699
N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 119040270
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103783282
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534

Frequently Asked Questions

What is the IUPAC name of (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (CID 124843881) is (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1OC)CC[C@@H]2NCCN1CCCCC1.
What is the InChIKey of (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FIKFVEODADTXTH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-17-9-7-14-15(18(17)22-2)6-8-16(14)19-10-13-20-11-4-3-5-12-20/h7,9,16,19H,3-6,8,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 304.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 124843881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).