2-benzyl-N-propan-2-ylaniline

C16H19N — CID 13262632

IUPAC2-benzyl-N-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19N/c1-13(2)17-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeyAOUWKZYNOYOOHT-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.10
Rot. Bonds4

About 2-benzyl-N-propan-2-ylaniline

2-benzyl-N-propan-2-ylaniline (PubChem CID 13262632) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-benzyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-benzyl-N-propan-2-ylaniline
PubChem CID13262632
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-benzyl-N-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19N/c1-13(2)17-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeyAOUWKZYNOYOOHT-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-(2-benzylanilino)propanenitrile
CID 54941633
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
1-(2-benzylanilino)propan-2-ol
CID 60884761
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
N-(2-benzylphenyl)hydroxylamine
CID 3014197
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
4-benzyl-N-propan-2-ylaniline
CID 22888879
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propan-2-ylaniline?
The IUPAC name of 2-benzyl-N-propan-2-ylaniline (CID 13262632) is 2-benzyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-benzyl-N-propan-2-ylaniline?
The canonical SMILES for 2-benzyl-N-propan-2-ylaniline is CC(C)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-propan-2-ylaniline?
The InChIKey is AOUWKZYNOYOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)17-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 2-benzyl-N-propan-2-ylaniline?
2-benzyl-N-propan-2-ylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-propan-2-ylaniline is sourced from PubChem (CID 13262632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).