3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine

C16H20N2 — CID 62589958

IUPAC3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
SMILESCCN(Cc1ccccc1)c1cc(N)ccc1C
InChIInChI=1S/C16H20N2/c1-3-18(12-14-7-5-4-6-8-14)16-11-15(17)10-9-13(16)2/h4-11H,3,12,17H2,1-2H3
InChIKeyVYXHUUJQOVZRCF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.60
Rot. Bonds4

About 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine

3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine (PubChem CID 62589958) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
PubChem CID62589958
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
SMILESCCN(Cc1ccccc1)c1cc(N)ccc1C
InChIInChI=1S/C16H20N2/c1-3-18(12-14-7-5-4-6-8-14)16-11-15(17)10-9-13(16)2/h4-11H,3,12,17H2,1-2H3
InChIKeyVYXHUUJQOVZRCF-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
1-N-benzyl-2-iodo-1-N-propylbenzene-1,4-diamine
CID 66095594
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine (CID 62589958) is 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine is CCN(Cc1ccccc1)c1cc(N)ccc1C.
What is the InChIKey of 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine?
The InChIKey is VYXHUUJQOVZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-18(12-14-7-5-4-6-8-14)16-11-15(17)10-9-13(16)2/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine?
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62589958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).