1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine

C16H19ClN2 — CID 62979678

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11-10-15(18)8-9-16(11)19(3)12(2)13-4-6-14(17)7-5-13/h4-10,12H,18H2,1-3H3
InChIKeyAYMYEKFTVDAECE-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.43
Rot. Bonds3

About 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine

1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine (PubChem CID 62979678) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
PubChem CID62979678
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11-10-15(18)8-9-16(11)19(3)12(2)13-4-6-14(17)7-5-13/h4-10,12H,18H2,1-3H3
InChIKeyAYMYEKFTVDAECE-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
4-(2-aminoethyl)-2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 81159454
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550477
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
4-amino-3-[1-(4-chlorophenyl)ethyl-methylamino]benzoic acid
CID 82776530
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63509836

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine (CID 62979678) is 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine is Cc1cc(N)ccc1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is AYMYEKFTVDAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-10-15(18)8-9-16(11)19(3)12(2)13-4-6-14(17)7-5-13/h4-10,12H,18H2,1-3H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 62979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).