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

C12H19ClN2 — CID 28759320

IUPAC2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(C)(C)CN
InChIInChI=1S/C12H19ClN2/c1-12(2,9-14)15(3)8-10-6-4-5-7-11(10)13/h4-7H,8-9,14H2,1-3H3
InChIKeyNHYDAYKPHPQWDY-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.51
Rot. Bonds4

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

2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 28759320) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID28759320
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(C)(C)CN
InChIInChI=1S/C12H19ClN2/c1-12(2,9-14)15(3)8-10-6-4-5-7-11(10)13/h4-7H,8-9,14H2,1-3H3
InChIKeyNHYDAYKPHPQWDY-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

N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 102859934
1-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 102859932
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 28759320) is 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CN(Cc1ccccc1Cl)C(C)(C)CN.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is NHYDAYKPHPQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-12(2,9-14)15(3)8-10-6-4-5-7-11(10)13/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-2-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 2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 28759320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).