(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine

C19H23NO — CID 146397496

IUPAC(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H23NO/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3/t18-/m0/s1
InChIKeyYRJQLRCAFIQEKX-SFHVURJKSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds6

About (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 146397496) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID146397496
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H23NO/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3/t18-/m0/s1
InChIKeyYRJQLRCAFIQEKX-SFHVURJKSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
CID 165109071
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine
CID 167244850
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
bis(3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine);3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67629133
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine (CID 146397496) is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine is CNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is YRJQLRCAFIQEKX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 146397496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).