1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C12H19ClN2 — CID 61414760

IUPAC1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccc(Cl)cc1)CC(C)(C)N
InChIInChI=1S/C12H19ClN2/c1-12(2,14)9-15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeySPMXYRBQDOLDRZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.51
Rot. Bonds4

About 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 61414760) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID61414760
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccc(Cl)cc1)CC(C)(C)N
InChIInChI=1S/C12H19ClN2/c1-12(2,14)9-15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeySPMXYRBQDOLDRZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 61415050
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
2-[5-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929523
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 61414760) is 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CN(Cc1ccc(Cl)cc1)CC(C)(C)N.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SPMXYRBQDOLDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-12(2,14)9-15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 61414760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).