4-methoxy-N-(3-phenylbutyl)aniline

C17H21NO — CID 15317290

IUPAC4-methoxy-N-(3-phenylbutyl)aniline
SMILESCOc1ccc(NCCC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(15-6-4-3-5-7-15)12-13-18-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyODIKTYDFWBJAFA-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.30
Rot. Bonds6

About 4-methoxy-N-(3-phenylbutyl)aniline

4-methoxy-N-(3-phenylbutyl)aniline (PubChem CID 15317290) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methoxy-N-(3-phenylbutyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(3-phenylbutyl)aniline
PubChem CID15317290
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-methoxy-N-(3-phenylbutyl)aniline
SMILESCOc1ccc(NCCC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(15-6-4-3-5-7-15)12-13-18-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyODIKTYDFWBJAFA-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methoxy-N-(3-phenylbutyl)aniline
CID 63453629
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765
3-fluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 63422940
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
2,6-dichloro-4-(3-phenylbutylamino)phenol
CID 107679289
N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline
CID 135056223
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
CID 66325227
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-phenylbutyl)aniline?
The IUPAC name of 4-methoxy-N-(3-phenylbutyl)aniline (CID 15317290) is 4-methoxy-N-(3-phenylbutyl)aniline.
What is the SMILES notation for 4-methoxy-N-(3-phenylbutyl)aniline?
The canonical SMILES for 4-methoxy-N-(3-phenylbutyl)aniline is COc1ccc(NCCC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(3-phenylbutyl)aniline?
The InChIKey is ODIKTYDFWBJAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(15-6-4-3-5-7-15)12-13-18-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 4-methoxy-N-(3-phenylbutyl)aniline?
4-methoxy-N-(3-phenylbutyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-phenylbutyl)aniline is sourced from PubChem (CID 15317290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).