[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol

C19H23NO — CID 107229953

IUPAC[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
SMILESCc1cccc(C2CC(NCc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C19H23NO/c1-14-3-2-4-17(9-14)18-10-19(11-18)20-12-15-5-7-16(13-21)8-6-15/h2-9,18-21H,10-13H2,1H3
InChIKeyZWFMHKSYFHAFGW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.52
Rot. Bonds5

About [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol

[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol (PubChem CID 107229953) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
PubChem CID107229953
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
SMILESCc1cccc(C2CC(NCc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C19H23NO/c1-14-3-2-4-17(9-14)18-10-19(11-18)20-12-15-5-7-16(13-21)8-6-15/h2-9,18-21H,10-13H2,1H3
InChIKeyZWFMHKSYFHAFGW-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol (CID 107229953) is [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol is Cc1cccc(C2CC(NCc3ccc(CO)cc3)C2)c1.
What is the InChIKey of [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The InChIKey is ZWFMHKSYFHAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-3-2-4-17(9-14)18-10-19(11-18)20-12-15-5-7-16(13-21)8-6-15/h2-9,18-21H,10-13H2,1H3.
What are the key properties of [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol?
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol has a molecular weight of 281.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).