4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol

C21H29NO2 — CID 138593973

IUPAC4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol
SMILESCCCCN(CCCCO)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-15-22(16-9-10-17-23)20-13-7-8-14-21(20)24-18-19-11-5-4-6-12-19/h4-8,11-14,23H,2-3,9-10,15-18H2,1H3
InChIKeyNPVRHYLNRGEMAE-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.64
Rot. Bonds11

About 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol

4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol (PubChem CID 138593973) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol.

Molecular Properties

Compound Name4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol
PubChem CID138593973
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol
SMILESCCCCN(CCCCO)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-15-22(16-9-10-17-23)20-13-7-8-14-21(20)24-18-19-11-5-4-6-12-19/h4-8,11-14,23H,2-3,9-10,15-18H2,1H3
InChIKeyNPVRHYLNRGEMAE-UHFFFAOYSA-N
XLogP4.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid
CID 22675483
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
CID 22675546
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
2-(dioctadecylamino)phenol
CID 67178725

Frequently Asked Questions

What is the IUPAC name of 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol?
The IUPAC name of 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol (CID 138593973) is 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol.
What is the SMILES notation for 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol?
The canonical SMILES for 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol is CCCCN(CCCCO)c1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol?
The InChIKey is NPVRHYLNRGEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-2-3-15-22(16-9-10-17-23)20-13-7-8-14-21(20)24-18-19-11-5-4-6-12-19/h4-8,11-14,23H,2-3,9-10,15-18H2,1H3.
What are the key properties of 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol?
4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-butyl-2-phenylmethoxyanilino)butan-1-ol is sourced from PubChem (CID 138593973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).