(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H18ClN — CID 59581943

IUPAC(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H18ClN/c1-19-17-11-13(15-4-2-3-5-16(15)17)10-12-6-8-14(18)9-7-12/h2-9,13,17,19H,10-11H2,1H3/t13-,17+/m1/s1
InChIKeyJQVXFVPYWIXFHO-DYVFJYSZSA-N
MW271.79 g/mol
LogP4.33
Rot. Bonds3

About (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 59581943) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID59581943
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H18ClN/c1-19-17-11-13(15-4-2-3-5-16(15)17)10-12-6-8-14(18)9-7-12/h2-9,13,17,19H,10-11H2,1H3/t13-,17+/m1/s1
InChIKeyJQVXFVPYWIXFHO-DYVFJYSZSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Zicronapine
CID 11465618
Indatraline
CID 126280
Indatraline hydrochloride
CID 10314472
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-Dechloro Sertraline Hydrochloride
CID 13408710
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
Zicronapine-D8
CID 71498955
1-[(1R,3S)-6-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
CID 89287174

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 59581943) is (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@H]1C[C@@H](Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JQVXFVPYWIXFHO-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H18ClN/c1-19-17-11-13(15-4-2-3-5-16(15)17)10-12-6-8-14(18)9-7-12/h2-9,13,17,19H,10-11H2,1H3/t13-,17+/m1/s1.
What are the key properties of (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 59581943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).