3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol

C14H18ClF2NO2 — CID 43792265

IUPAC3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C14H18ClF2NO2/c15-10-4-5-13(20-14(16)17)9(6-10)8-18-11-2-1-3-12(19)7-11/h4-6,11-12,14,18-19H,1-3,7-8H2
InChIKeyYVEYZNMICBARQI-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.33
Rot. Bonds5

About 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol

3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 43792265) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
PubChem CID43792265
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C14H18ClF2NO2/c15-10-4-5-13(20-14(16)17)9(6-10)8-18-11-2-1-3-12(19)7-11/h4-6,11-12,14,18-19H,1-3,7-8H2
InChIKeyYVEYZNMICBARQI-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]thian-3-amine
CID 115676105
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]thian-4-amine
CID 115615579
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 62349799
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(thian-4-yl)methanamine
CID 115625880
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
3-[[N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylcyclohexane-1-carboxamide;hydroiodide
CID 111996932

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol (CID 43792265) is 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol is OC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1.
What is the InChIKey of 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is YVEYZNMICBARQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c15-10-4-5-13(20-14(16)17)9(6-10)8-18-11-2-1-3-12(19)7-11/h4-6,11-12,14,18-19H,1-3,7-8H2.
What are the key properties of 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol?
3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 305.75 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43792265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).