4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine

C15H19N3 — CID 106750720

IUPAC4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
SMILESCc1cccc(CCNc2ccc(N)c(N)c2)c1
InChIInChI=1S/C15H19N3/c1-11-3-2-4-12(9-11)7-8-18-13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8,16-17H2,1H3
InChIKeyCIIHIJSOOLLRRN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.81
Rot. Bonds4

About 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine

4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine (PubChem CID 106750720) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
PubChem CID106750720
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
SMILESCc1cccc(CCNc2ccc(N)c(N)c2)c1
InChIInChI=1S/C15H19N3/c1-11-3-2-4-12(9-11)7-8-18-13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8,16-17H2,1H3
InChIKeyCIIHIJSOOLLRRN-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine (CID 106750720) is 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine is Cc1cccc(CCNc2ccc(N)c(N)c2)c1.
What is the InChIKey of 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine?
The InChIKey is CIIHIJSOOLLRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-3-2-4-12(9-11)7-8-18-13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8,16-17H2,1H3.
What are the key properties of 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine?
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine has a molecular weight of 241.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).