(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine

C21H27N — CID 167244850

IUPAC(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine
SMILESCNCC[C@H](CCc1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C21H27N/c1-22-16-15-18(17-7-3-2-4-8-17)13-14-20-10-5-9-19-11-6-12-21(19)20/h2-5,7-10,18,22H,6,11-16H2,1H3/t18-/m0/s1
InChIKeyJECCDRSOZAJTDC-SFHVURJKSA-N
MW293.45 g/mol
LogP4.50
Rot. Bonds7

About (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine

(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine (PubChem CID 167244850) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine.

Molecular Properties

Compound Name(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine
PubChem CID167244850
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine
SMILESCNCC[C@H](CCc1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C21H27N/c1-22-16-15-18(17-7-3-2-4-8-17)13-14-20-10-5-9-19-11-6-12-21(19)20/h2-5,7-10,18,22H,6,11-16H2,1H3/t18-/m0/s1
InChIKeyJECCDRSOZAJTDC-SFHVURJKSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
CID 165109071
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
(1R)-1-[2-(2,3-dihydro-1H-inden-4-yl)ethyl]-2,3-dihydro-1H-indene
CID 91188469
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
CID 67275379
2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
CID 13406794

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine?
The IUPAC name of (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine (CID 167244850) is (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine.
What is the SMILES notation for (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine?
The canonical SMILES for (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine is CNCC[C@H](CCc1cccc2c1CCC2)c1ccccc1.
What is the InChIKey of (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine?
The InChIKey is JECCDRSOZAJTDC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N/c1-22-16-15-18(17-7-3-2-4-8-17)13-14-20-10-5-9-19-11-6-12-21(19)20/h2-5,7-10,18,22H,6,11-16H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine?
(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine is sourced from PubChem (CID 167244850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).