3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

C16H20N2 — CID 117028941

IUPAC3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(N(C)c2cccc(NC)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-8-10-15(11-9-13)18(3)16-7-5-6-14(12-16)17-2/h5-12,17H,4H2,1-3H3
InChIKeyLDSVFRMXHNQBPH-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.06
Rot. Bonds4

About 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117028941) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117028941
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(N(C)c2cccc(NC)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-8-10-15(11-9-13)18(3)16-7-5-6-14(12-16)17-2/h5-12,17H,4H2,1-3H3
InChIKeyLDSVFRMXHNQBPH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534081
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
N-(4-ethenylphenyl)-3-ethyl-N-methylaniline
CID 118311414
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041076
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117028941) is 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is CCc1ccc(N(C)c2cccc(NC)c2)cc1.
What is the InChIKey of 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is LDSVFRMXHNQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-13-8-10-15(11-9-13)18(3)16-7-5-6-14(12-16)17-2/h5-12,17H,4H2,1-3H3.
What are the key properties of 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117028941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).