1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride

C10H16Cl2N2 — CID 156589611

IUPAC1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
SMILESCC(C)(N)CNc1cccc(Cl)c1.Cl
InChIInChI=1S/C10H15ClN2.ClH/c1-10(2,12)7-13-9-5-3-4-8(11)6-9;/h3-6,13H,7,12H2,1-2H3;1H
InChIKeyYXLNEGOGSDGLLL-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.91
Rot. Bonds3

About 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride

1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride (PubChem CID 156589611) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
PubChem CID156589611
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
SMILESCC(C)(N)CNc1cccc(Cl)c1.Cl
InChIInChI=1S/C10H15ClN2.ClH/c1-10(2,12)7-13-9-5-3-4-8(11)6-9;/h3-6,13H,7,12H2,1-2H3;1H
InChIKeyYXLNEGOGSDGLLL-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
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1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
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2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
1-(3-chloroanilino)propan-2-one
CID 21364413
3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788755
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
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CID 109031344

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride (CID 156589611) is 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride is CC(C)(N)CNc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is YXLNEGOGSDGLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2.ClH/c1-10(2,12)7-13-9-5-3-4-8(11)6-9;/h3-6,13H,7,12H2,1-2H3;1H.
What are the key properties of 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride?
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 156589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).