N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine

C10H14Cl2N2 — CID 28772810

IUPACN'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(6-2-5-13)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyQSQFNZHHSNRLHA-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.78
Rot. Bonds4

About N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine

N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 28772810) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID28772810
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(6-2-5-13)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyQSQFNZHHSNRLHA-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 23317090
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772652
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
CID 28772754
N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
CID 115319396
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
3-(3-chloro-4-methoxy-N-methylanilino)propane-1-thiol
CID 115224695

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine (CID 28772810) is N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is QSQFNZHHSNRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-14(6-2-5-13)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine?
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 28772810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).