[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol

C18H23NO — CID 107875961

IUPAC[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
SMILESCC(C)C(CNc1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(16-8-4-3-5-9-16)12-19-17-10-6-7-15(11-17)13-20/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeySRMFWASBORJZSR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds6

About [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol

[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol (PubChem CID 107875961) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
PubChem CID107875961
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
SMILESCC(C)C(CNc1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(16-8-4-3-5-9-16)12-19-17-10-6-7-15(11-17)13-20/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeySRMFWASBORJZSR-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
CID 107876208
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2-chloro-5-[(3-methyl-2-phenylbutyl)amino]benzonitrile
CID 107875945
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
3-(2-phenylpropylamino)benzoic acid
CID 43139349

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol?
The IUPAC name of [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol (CID 107875961) is [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol?
The canonical SMILES for [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol is CC(C)C(CNc1cccc(CO)c1)c1ccccc1.
What is the InChIKey of [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol?
The InChIKey is SRMFWASBORJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)18(16-8-4-3-5-9-16)12-19-17-10-6-7-15(11-17)13-20/h3-11,14,18-20H,12-13H2,1-2H3.
What are the key properties of [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol?
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol has a molecular weight of 269.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol is sourced from PubChem (CID 107875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).