4-[(3-propan-2-ylphenyl)methyl]aniline

C16H19N — CID 123873947

IUPAC4-[(3-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1cccc(Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N/c1-12(2)15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11-12H,10,17H2,1-2H3
InChIKeyZHMTVZMKFBVNIP-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.98
Rot. Bonds3

About 4-[(3-propan-2-ylphenyl)methyl]aniline

4-[(3-propan-2-ylphenyl)methyl]aniline (PubChem CID 123873947) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(3-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(3-propan-2-ylphenyl)methyl]aniline
PubChem CID123873947
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-[(3-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1cccc(Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N/c1-12(2)15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11-12H,10,17H2,1-2H3
InChIKeyZHMTVZMKFBVNIP-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
CID 174614895
1-(3-benzylphenyl)ethanamine
CID 69109207
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
1-benzyl-3-butan-2-ylbenzene
CID 15748559
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 4-[(3-propan-2-ylphenyl)methyl]aniline (CID 123873947) is 4-[(3-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(3-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 4-[(3-propan-2-ylphenyl)methyl]aniline is CC(C)c1cccc(Cc2ccc(N)cc2)c1.
What is the InChIKey of 4-[(3-propan-2-ylphenyl)methyl]aniline?
The InChIKey is ZHMTVZMKFBVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12(2)15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11-12H,10,17H2,1-2H3.
What are the key properties of 4-[(3-propan-2-ylphenyl)methyl]aniline?
4-[(3-propan-2-ylphenyl)methyl]aniline has a molecular weight of 225.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 123873947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).