4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19ClFNO — CID 114147064

IUPAC4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFNO/c15-12-4-3-11(14(16)7-12)9-17-8-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,8-9H2
InChIKeyHMHPVPBQRHMCNP-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.12
Rot. Bonds4

About 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 114147064) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID114147064
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFNO/c15-12-4-3-11(14(16)7-12)9-17-8-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,8-9H2
InChIKeyHMHPVPBQRHMCNP-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

1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
CID 66005122
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 114147064) is 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is HMHPVPBQRHMCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-12-4-3-11(14(16)7-12)9-17-8-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,8-9H2.
What are the key properties of 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
4-[[(4-chloro-2-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 4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114147064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).