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

C19H22Cl3N — CID 67653550

IUPAC(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCC(C)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C19H21Cl2N.ClH/c1-12(2)22-19-11-14-5-3-4-6-15(14)16(19)9-13-7-8-17(20)18(21)10-13;/h3-8,10,12,16,19,22H,9,11H2,1-2H3;1H/t16-,19+;/m1./s1
InChIKeyYZISABRCGRBKIK-VWJDFLIZSA-N
MW370.75 g/mol
LogP5.66
Rot. Bonds4

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

(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 67653550) has the molecular formula C19H22Cl3N and a molecular weight of 370.75 g/mol. Its IUPAC name is (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID67653550
Molecular FormulaC19H22Cl3N
Molecular Weight370.75 g/mol
Exact Mass369.08
IUPAC Name(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCC(C)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C19H21Cl2N.ClH/c1-12(2)22-19-11-14-5-3-4-6-15(14)16(19)9-13-7-8-17(20)18(21)10-13;/h3-8,10,12,16,19,22H,9,11H2,1-2H3;1H/t16-,19+;/m1./s1
InChIKeyYZISABRCGRBKIK-VWJDFLIZSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 67653550) is (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CC(C)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is YZISABRCGRBKIK-VWJDFLIZSA-N. The full InChI is InChI=1S/C19H21Cl2N.ClH/c1-12(2)22-19-11-14-5-3-4-6-15(14)16(19)9-13-7-8-17(20)18(21)10-13;/h3-8,10,12,16,19,22H,9,11H2,1-2H3;1H/t16-,19+;/m1./s1.
What are the key properties of (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 370.75 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 67653550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).