[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol

C12H15ClFNO — CID 114453179

IUPAC[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2cc(F)cc(Cl)c2)CCC1
InChIInChI=1S/C12H15ClFNO/c13-10-4-9(5-11(14)6-10)7-15-12(8-16)2-1-3-12/h4-6,15-16H,1-3,7-8H2
InChIKeyABUBLDHPVYRGDB-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.48
Rot. Bonds4

About [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol

[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol (PubChem CID 114453179) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
PubChem CID114453179
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2cc(F)cc(Cl)c2)CCC1
InChIInChI=1S/C12H15ClFNO/c13-10-4-9(5-11(14)6-10)7-15-12(8-16)2-1-3-12/h4-6,15-16H,1-3,7-8H2
InChIKeyABUBLDHPVYRGDB-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
CID 115282901
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
[1-[(3-bromo-4-chlorophenyl)methylamino]cyclobutyl]methanol
CID 115909414
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol (CID 114453179) is [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol is OCC1(NCc2cc(F)cc(Cl)c2)CCC1.
What is the InChIKey of [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol?
The InChIKey is ABUBLDHPVYRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-4-9(5-11(14)6-10)7-15-12(8-16)2-1-3-12/h4-6,15-16H,1-3,7-8H2.
What are the key properties of [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol?
[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol has a molecular weight of 243.71 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 114453179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).