1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19ClFNO — CID 62538939

IUPAC1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-12-8-11(4-5-13(12)16)9-17-10-14(18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10H2
InChIKeyHZZSUUZGSLNHPL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.26
Rot. Bonds4

About 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 62538939) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID62538939
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-12-8-11(4-5-13(12)16)9-17-10-14(18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10H2
InChIKeyHZZSUUZGSLNHPL-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 62538939) is 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc(F)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is HZZSUUZGSLNHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-12-8-11(4-5-13(12)16)9-17-10-14(18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10H2.
What are the key properties of 1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 3.26, 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]cyclohexan-1-ol is sourced from PubChem (CID 62538939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).