3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine

C19H26N2 — CID 115377201

IUPAC3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
SMILESCc1ccc(NC(c2ccccc2)C(C)C)cc1N(C)C
InChIInChI=1S/C19H26N2/c1-14(2)19(16-9-7-6-8-10-16)20-17-12-11-15(3)18(13-17)21(4)5/h6-14,19-20H,1-5H3
InChIKeyQBWGYWYCUTZQNI-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.87
Rot. Bonds5

About 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine (PubChem CID 115377201) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
PubChem CID115377201
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
SMILESCc1ccc(NC(c2ccccc2)C(C)C)cc1N(C)C
InChIInChI=1S/C19H26N2/c1-14(2)19(16-9-7-6-8-10-16)20-17-12-11-15(3)18(13-17)21(4)5/h6-14,19-20H,1-5H3
InChIKeyQBWGYWYCUTZQNI-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
CID 115376862
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 115376804
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43755773
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
CID 43433051
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine (CID 115377201) is 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine is Cc1ccc(NC(c2ccccc2)C(C)C)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine?
The InChIKey is QBWGYWYCUTZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)19(16-9-7-6-8-10-16)20-17-12-11-15(3)18(13-17)21(4)5/h6-14,19-20H,1-5H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 115377201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).