3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

C18H24N2 — CID 117028949

IUPAC3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H24N2/c1-18(2,3)14-9-11-16(12-10-14)20(5)17-8-6-7-15(13-17)19-4/h6-13,19H,1-5H3
InChIKeyASCIKCPOMMZRHV-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.79
Rot. Bonds3

About 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117028949) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117028949
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H24N2/c1-18(2,3)14-9-11-16(12-10-14)20(5)17-8-6-7-15(13-17)19-4/h6-13,19H,1-5H3
InChIKeyASCIKCPOMMZRHV-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
3-N-(4-tert-butylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117028859
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-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041076
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
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
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117028949) is 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is ASCIKCPOMMZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)14-9-11-16(12-10-14)20(5)17-8-6-7-15(13-17)19-4/h6-13,19H,1-5H3.
What are the key properties of 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).