1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine

C16H20N2 — CID 174482697

IUPAC1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
SMILESCCNc1c(C)cccc1NCc1ccccc1
InChIInChI=1S/C16H20N2/c1-3-17-16-13(2)8-7-11-15(16)18-12-14-9-5-4-6-10-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyTWHMZKPXLFZURE-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.04
Rot. Bonds5

About 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine

1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine (PubChem CID 174482697) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
PubChem CID174482697
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
SMILESCCNc1c(C)cccc1NCc1ccccc1
InChIInChI=1S/C16H20N2/c1-3-17-16-13(2)8-7-11-15(16)18-12-14-9-5-4-6-10-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyTWHMZKPXLFZURE-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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benzoic acid;N-benzyl-2,3-dimethylaniline
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N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
CID 175798397
CID 175798397
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
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N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
N-benzyl-2,3-difluoroaniline
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ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine (CID 174482697) is 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine is CCNc1c(C)cccc1NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine?
The InChIKey is TWHMZKPXLFZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-17-16-13(2)8-7-11-15(16)18-12-14-9-5-4-6-10-14/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine?
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 174482697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).