4-(2-phenylmethoxypropan-2-yl)aniline

C16H19NO — CID 122627268

IUPAC4-(2-phenylmethoxypropan-2-yl)aniline
SMILESCC(C)(OCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-16(2,14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,12,17H2,1-2H3
InChIKeyOKAHZUUMUPPHGB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.72
Rot. Bonds4

About 4-(2-phenylmethoxypropan-2-yl)aniline

4-(2-phenylmethoxypropan-2-yl)aniline (PubChem CID 122627268) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-phenylmethoxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-phenylmethoxypropan-2-yl)aniline
PubChem CID122627268
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(2-phenylmethoxypropan-2-yl)aniline
SMILESCC(C)(OCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-16(2,14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,12,17H2,1-2H3
InChIKeyOKAHZUUMUPPHGB-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.72
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

4-(2-ethoxypropan-2-yl)aniline
CID 122627263
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
4-(phenylmethoxymethyl)aniline
CID 11701294
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
benzene;4-tert-butylaniline
CID 175140068
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
4-phenylmethoxyaniline
CID 159966727
2-(4-phenylphenyl)propan-2-yloxymethanamine
CID 155337382
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxypropan-2-yl)aniline?
The IUPAC name of 4-(2-phenylmethoxypropan-2-yl)aniline (CID 122627268) is 4-(2-phenylmethoxypropan-2-yl)aniline.
What is the SMILES notation for 4-(2-phenylmethoxypropan-2-yl)aniline?
The canonical SMILES for 4-(2-phenylmethoxypropan-2-yl)aniline is CC(C)(OCc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-(2-phenylmethoxypropan-2-yl)aniline?
The InChIKey is OKAHZUUMUPPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,12,17H2,1-2H3.
What are the key properties of 4-(2-phenylmethoxypropan-2-yl)aniline?
4-(2-phenylmethoxypropan-2-yl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxypropan-2-yl)aniline is sourced from PubChem (CID 122627268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).