4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C17H21ClN2 — CID 63447215

IUPAC4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCc1ccccc1CNc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H21ClN2/c1-4-13-7-5-6-8-14(13)12-19-16-11-15(18)9-10-17(16)20(2)3/h5-11,19H,4,12H2,1-3H3
InChIKeyPKEXHDMTRNCYKG-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 63447215) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID63447215
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCc1ccccc1CNc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H21ClN2/c1-4-13-7-5-6-8-14(13)12-19-16-11-15(18)9-10-17(16)20(2)3/h5-11,19H,4,12H2,1-3H3
InChIKeyPKEXHDMTRNCYKG-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-N-[(2,5-dimethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 63447088
4-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 62344834
4-chloro-1-N,1-N-dimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,2-diamine
CID 62472778
4-chloro-2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231688
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
4-[[5-chloro-2-(dimethylamino)anilino]methyl]benzonitrile
CID 43231331
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
2-N-(3-amino-3-methylbutyl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 112753884
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 63447215) is 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CCc1ccccc1CNc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is PKEXHDMTRNCYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-13-7-5-6-8-14(13)12-19-16-11-15(18)9-10-17(16)20(2)3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(2-ethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 63447215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).