5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

C18H20ClN — CID 115349151

IUPAC5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc([C@H](C)NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C18H20ClN/c1-12-3-5-14(6-4-12)13(2)20-18-10-15-7-8-17(19)9-16(15)11-18/h3-9,13,18,20H,10-11H2,1-2H3/t13-,18?/m0/s1
InChIKeyBNRPORBENYYHAW-FVRDMJKUSA-N
MW285.82 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 115349151) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID115349151
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc([C@H](C)NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C18H20ClN/c1-12-3-5-14(6-4-12)13(2)20-18-10-15-7-8-17(19)9-16(15)11-18/h3-9,13,18,20H,10-11H2,1-2H3/t13-,18?/m0/s1
InChIKeyBNRPORBENYYHAW-FVRDMJKUSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
5-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349183
5-chloro-N-(2-methyl-1-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348805
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
CID 113376014
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutanoic acid
CID 113291789
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
CID 81328281
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 81343273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 115349151) is 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is Cc1ccc([C@H](C)NC2Cc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BNRPORBENYYHAW-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-3-5-14(6-4-12)13(2)20-18-10-15-7-8-17(19)9-16(15)11-18/h3-9,13,18,20H,10-11H2,1-2H3/t13-,18?/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115349151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).