1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine

C21H19Cl2N — CID 54046222

IUPAC1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
SMILESCC(N)C(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2N/c1-15(24)21(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-13-19(22)20(23)14-18/h2-15H,24H2,1H3
InChIKeyLPTRDHYWTOULHQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.68
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine

1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine (PubChem CID 54046222) has the molecular formula C21H19Cl2N and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
PubChem CID54046222
Molecular FormulaC21H19Cl2N
Molecular Weight356.30 g/mol
Exact Mass355.09
IUPAC Name1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
SMILESCC(N)C(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2N/c1-15(24)21(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-13-19(22)20(23)14-18/h2-15H,24H2,1H3
InChIKeyLPTRDHYWTOULHQ-UHFFFAOYSA-N
XLogP5.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
2-amino-N-[2-(3,4-dichlorophenyl)-2-phenylpropyl]acetamide
CID 69398154
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine (CID 54046222) is 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine is CC(N)C(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine?
The InChIKey is LPTRDHYWTOULHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N/c1-15(24)21(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-13-19(22)20(23)14-18/h2-15H,24H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine?
1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine is sourced from PubChem (CID 54046222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).