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

C18H20ClNO — CID 107229852

IUPAC[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-5-15(6-8-17)16-9-18(10-16)20-11-13-1-3-14(12-21)4-2-13/h1-8,16,18,20-21H,9-12H2
InChIKeyGVDUDOUYAOJJHF-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.87
Rot. Bonds5

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

[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol (PubChem CID 107229852) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
PubChem CID107229852
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-5-15(6-8-17)16-9-18(10-16)20-11-13-1-3-14(12-21)4-2-13/h1-8,16,18,20-21H,9-12H2
InChIKeyGVDUDOUYAOJJHF-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentyl]methanol
CID 115358767
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
CID 103965853
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
CID 104528160
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol (CID 107229852) is [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol is OCc1ccc(CNC2CC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol?
The InChIKey is GVDUDOUYAOJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-7-5-15(6-8-17)16-9-18(10-16)20-11-13-1-3-14(12-21)4-2-13/h1-8,16,18,20-21H,9-12H2.
What are the key properties of [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol?
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol has a molecular weight of 301.82 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).