3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19ClFNO — CID 114147754

IUPAC3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyYFNUTRCNTAFSFT-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.12
Rot. Bonds4

About 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 114147754) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID114147754
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyYFNUTRCNTAFSFT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
N-[(2-chloro-3-fluorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 112651888
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 114147754) is 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2cccc(F)c2Cl)C1.
What is the InChIKey of 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is YFNUTRCNTAFSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2.
What are the key properties of 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114147754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).