1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine

C18H24N2 — CID 19823570

IUPAC1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC(C)(C)N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14,19H2,1-3H3
InChIKeyTUHUMHLIOLITBA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.45
Rot. Bonds5

About 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine

1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 19823570) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID19823570
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC(C)(C)N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14,19H2,1-3H3
InChIKeyTUHUMHLIOLITBA-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride
CID 19823569
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
CID 102355634
CID 102355634
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 18646864
[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
CID 68805705
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 19823566

Frequently Asked Questions

What is the IUPAC name of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine (CID 19823570) is 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine is CN(CC(C)(C)N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is TUHUMHLIOLITBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14,19H2,1-3H3.
What are the key properties of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine?
1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 19823570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).