[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol

C13H17ClFNO — CID 116959052

IUPAC[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(F)c(Cl)c1)C1(CO)CCC1
InChIInChI=1S/C13H17ClFNO/c1-16-12(13(8-17)5-2-6-13)9-3-4-11(15)10(14)7-9/h3-4,7,12,16-17H,2,5-6,8H2,1H3
InChIKeyFQSLQTNMMIPEMO-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.90
Rot. Bonds4

About [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol

[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol (PubChem CID 116959052) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
PubChem CID116959052
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(F)c(Cl)c1)C1(CO)CCC1
InChIInChI=1S/C13H17ClFNO/c1-16-12(13(8-17)5-2-6-13)9-3-4-11(15)10(14)7-9/h3-4,7,12,16-17H,2,5-6,8H2,1H3
InChIKeyFQSLQTNMMIPEMO-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958336
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
[1-[(5-chlorothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958259
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130642918
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol (CID 116959052) is [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol is CNC(c1ccc(F)c(Cl)c1)C1(CO)CCC1.
What is the InChIKey of [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol?
The InChIKey is FQSLQTNMMIPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-16-12(13(8-17)5-2-6-13)9-3-4-11(15)10(14)7-9/h3-4,7,12,16-17H,2,5-6,8H2,1H3.
What are the key properties of [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol?
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol has a molecular weight of 257.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).