[3-[(4-phenylbutylamino)methyl]phenyl]methanol

C18H23NO — CID 107230381

IUPAC[3-[(4-phenylbutylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c20-15-18-11-6-10-17(13-18)14-19-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,13,19-20H,4-5,9,12,14-15H2
InChIKeyIQWOYKJSASUNIL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.29
Rot. Bonds8

About [3-[(4-phenylbutylamino)methyl]phenyl]methanol

[3-[(4-phenylbutylamino)methyl]phenyl]methanol (PubChem CID 107230381) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[(4-phenylbutylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-phenylbutylamino)methyl]phenyl]methanol
PubChem CID107230381
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-[(4-phenylbutylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c20-15-18-11-6-10-17(13-18)14-19-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,13,19-20H,4-5,9,12,14-15H2
InChIKeyIQWOYKJSASUNIL-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
4-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230565
2-chloro-4-[(4-phenylbutylamino)methyl]phenol
CID 142098932
[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
CID 107230636
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
4-[(4-phenylbutylamino)methyl]benzoic acid
CID 90095310
6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium
CID 145375829
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-[[3-[5-[3-(dimethylamino)propylamino]pentyl]phenyl]methyl]-N',N'-dimethylheptane-1,7-diamine
CID 146687225

Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenylbutylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(4-phenylbutylamino)methyl]phenyl]methanol (CID 107230381) is [3-[(4-phenylbutylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(4-phenylbutylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(4-phenylbutylamino)methyl]phenyl]methanol is OCc1cccc(CNCCCCc2ccccc2)c1.
What is the InChIKey of [3-[(4-phenylbutylamino)methyl]phenyl]methanol?
The InChIKey is IQWOYKJSASUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-15-18-11-6-10-17(13-18)14-19-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,13,19-20H,4-5,9,12,14-15H2.
What are the key properties of [3-[(4-phenylbutylamino)methyl]phenyl]methanol?
[3-[(4-phenylbutylamino)methyl]phenyl]methanol has a molecular weight of 269.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenylbutylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).