3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine

C18H24N2 — CID 115376862

IUPAC3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
SMILESCc1cccc(C(C)Nc2ccc(C)c(N(C)C)c2)c1
InChIInChI=1S/C18H24N2/c1-13-7-6-8-16(11-13)15(3)19-17-10-9-14(2)18(12-17)20(4)5/h6-12,15,19H,1-5H3
InChIKeyIBJOBEAQDOCHPX-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.54
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine (PubChem CID 115376862) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
PubChem CID115376862
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
SMILESCc1cccc(C(C)Nc2ccc(C)c(N(C)C)c2)c1
InChIInChI=1S/C18H24N2/c1-13-7-6-8-16(11-13)15(3)19-17-10-9-14(2)18(12-17)20(4)5/h6-12,15,19H,1-5H3
InChIKeyIBJOBEAQDOCHPX-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
2-chloro-4-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450867
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 115376804
2,2-difluoro-N-[1-(3-methylphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43760727
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
N-[1-(3-methylphenyl)ethyl]-4-methylsulfonylaniline
CID 43761436
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343
4-bromo-3-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 82857351
N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
CID 43768662
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine (CID 115376862) is 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine is Cc1cccc(C(C)Nc2ccc(C)c(N(C)C)c2)c1.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine?
The InChIKey is IBJOBEAQDOCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-7-6-8-16(11-13)15(3)19-17-10-9-14(2)18(12-17)20(4)5/h6-12,15,19H,1-5H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.54, 4 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-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 115376862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).