4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol

C18H23NO2 — CID 111336616

IUPAC4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
SMILESCC(O)CCNCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(20)10-11-19-13-17-8-5-9-18(12-17)21-14-16-6-3-2-4-7-16/h2-9,12,15,19-20H,10-11,13-14H2,1H3
InChIKeySJPJGRZCIGVPHR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds8

About 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol

4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol (PubChem CID 111336616) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
PubChem CID111336616
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
SMILESCC(O)CCNCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(20)10-11-19-13-17-8-5-9-18(12-17)21-14-16-6-3-2-4-7-16/h2-9,12,15,19-20H,10-11,13-14H2,1H3
InChIKeySJPJGRZCIGVPHR-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
4-[[3-[(3-methylbutylamino)methyl]phenoxy]methyl]benzamide
CID 59027099
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol?
The IUPAC name of 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol (CID 111336616) is 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol is CC(O)CCNCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol?
The InChIKey is SJPJGRZCIGVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(20)10-11-19-13-17-8-5-9-18(12-17)21-14-16-6-3-2-4-7-16/h2-9,12,15,19-20H,10-11,13-14H2,1H3.
What are the key properties of 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol?
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 111336616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).