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

C16H16ClN — CID 59582055

IUPAC(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H16ClN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16+/m0/s1
InChIKeyZEXDXAZYHUYJAL-JKSUJKDBSA-N
MW257.76 g/mol
LogP4.14
Rot. Bonds2

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

(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 59582055) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID59582055
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H16ClN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16+/m0/s1
InChIKeyZEXDXAZYHUYJAL-JKSUJKDBSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 59582055) is (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZEXDXAZYHUYJAL-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16ClN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16+/m0/s1.
What are the key properties of (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 257.76 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 59582055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).