(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

C11H18Cl2N2 — CID 67153399

IUPAC(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCN(C)C[C@@H](N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-14(2)8-11(13)7-9-3-5-10(12)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyDUXKXEWCXDKBHY-MERQFXBCSA-N
MW249.19 g/mol
LogP2.19
Rot. Bonds4

About (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (PubChem CID 67153399) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.19 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
PubChem CID67153399
Molecular FormulaC11H18Cl2N2
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCN(C)C[C@@H](N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-14(2)8-11(13)7-9-3-5-10(12)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyDUXKXEWCXDKBHY-MERQFXBCSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60820343
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
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3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
1-(4-chlorophenyl)propan-2-amine
CID 3127
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
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1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103910429
3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 135362119
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
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1-(4-chlorophenyl)-6,6-dimethylhept-4-yn-2-amine
CID 114190215

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The IUPAC name of (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (CID 67153399) is (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is CN(C)C[C@@H](N)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The InChIKey is DUXKXEWCXDKBHY-MERQFXBCSA-N. The full InChI is InChI=1S/C11H17ClN2.ClH/c1-14(2)8-11(13)7-9-3-5-10(12)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride has a molecular weight of 249.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 67153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).