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

C16H16Cl3N — CID 10314472

IUPAC(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
InChIKeyQICQDZXGZOVTEF-MELYUZJYSA-N
MW328.67 g/mol
LogP5.21
Rot. Bonds2

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

(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 10314472) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID10314472
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
InChIKeyQICQDZXGZOVTEF-MELYUZJYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 10314472) is (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is QICQDZXGZOVTEF-MELYUZJYSA-N. The full InChI is InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1.
What are the key properties of (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 328.67 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 10314472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).