1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine

C18H23ClN2 — CID 63493532

IUPAC1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(N(C)CCC(N)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H23ClN2/c1-13-4-9-18(14(2)12-13)21(3)11-10-17(20)15-5-7-16(19)8-6-15/h4-9,12,17H,10-11,20H2,1-3H3
InChIKeySBYCRSYVCLIYFY-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63493532) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID63493532
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1ccc(N(C)CCC(N)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H23ClN2/c1-13-4-9-18(14(2)12-13)21(3)11-10-17(20)15-5-7-16(19)8-6-15/h4-9,12,17H,10-11,20H2,1-3H3
InChIKeySBYCRSYVCLIYFY-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62628937
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine (CID 63493532) is 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine is Cc1ccc(N(C)CCC(N)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is SBYCRSYVCLIYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-13-4-9-18(14(2)12-13)21(3)11-10-17(20)15-5-7-16(19)8-6-15/h4-9,12,17H,10-11,20H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63493532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).