4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine

C18H23ClN2 — CID 43741160

IUPAC4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
SMILESCCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H23ClN2/c1-5-16(14-8-6-13(2)7-9-14)20-17-12-15(19)10-11-18(17)21(3)4/h6-12,16,20H,5H2,1-4H3
InChIKeyHOVNGKINZCVYND-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.28
Rot. Bonds5

About 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine

4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine (PubChem CID 43741160) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
PubChem CID43741160
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
SMILESCCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H23ClN2/c1-5-16(14-8-6-13(2)7-9-14)20-17-12-15(19)10-11-18(17)21(3)4/h6-12,16,20H,5H2,1-4H3
InChIKeyHOVNGKINZCVYND-UHFFFAOYSA-N
XLogP5.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
N-[1-(4-chlorophenyl)propyl]-2-iodoaniline
CID 43124768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine (CID 43741160) is 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine is CCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(C)cc1.
What is the InChIKey of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine?
The InChIKey is HOVNGKINZCVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-5-16(14-8-6-13(2)7-9-14)20-17-12-15(19)10-11-18(17)21(3)4/h6-12,16,20H,5H2,1-4H3.
What are the key properties of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine?
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine is sourced from PubChem (CID 43741160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).