N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine

C11H17ClN2 — CID 28772754

IUPACN'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(Cl)cc1N(C)CCCN
InChIInChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)14(2)7-3-6-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyXIVUCXCATIFEAV-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.43
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine

N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 28772754) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID28772754
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(Cl)cc1N(C)CCCN
InChIInChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)14(2)7-3-6-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyXIVUCXCATIFEAV-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
CID 115319353
N-butyl-5-chloro-2-(chloromethyl)-N-methylaniline
CID 114846304
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine (CID 28772754) is N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine is Cc1ccc(Cl)cc1N(C)CCCN.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is XIVUCXCATIFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)14(2)7-3-6-13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine?
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 28772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).