4-benzyl-N-propan-2-ylaniline

C16H19N — CID 22888879

IUPAC4-benzyl-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-13(2)17-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyLLJYLMFIRWLZCB-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.10
Rot. Bonds4

About 4-benzyl-N-propan-2-ylaniline

4-benzyl-N-propan-2-ylaniline (PubChem CID 22888879) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-benzyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-benzyl-N-propan-2-ylaniline
PubChem CID22888879
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-benzyl-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-13(2)17-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyLLJYLMFIRWLZCB-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

1-(4-benzylanilino)propan-1-ol
CID 141374404
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
CID 157120065
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
2-benzyl-N-propan-2-ylaniline
CID 13262632
phenyl(113C)methylbenzene
CID 11194569
1-(4-benzylphenyl)ethanamine
CID 3962419
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
CID 91068472
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-propan-2-ylaniline?
The IUPAC name of 4-benzyl-N-propan-2-ylaniline (CID 22888879) is 4-benzyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-benzyl-N-propan-2-ylaniline?
The canonical SMILES for 4-benzyl-N-propan-2-ylaniline is CC(C)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-propan-2-ylaniline?
The InChIKey is LLJYLMFIRWLZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)17-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 4-benzyl-N-propan-2-ylaniline?
4-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 4-benzyl-N-propan-2-ylaniline is sourced from PubChem (CID 22888879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).