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

C13H17ClFNO — CID 62359472

IUPAC2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c14-11-7-10(15)6-5-9(11)8-16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4,8H2
InChIKeyMSIUTHYKDLPABA-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.87
Rot. Bonds3

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

2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol (PubChem CID 62359472) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
PubChem CID62359472
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c14-11-7-10(15)6-5-9(11)8-16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4,8H2
InChIKeyMSIUTHYKDLPABA-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
CID 130698269
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol (CID 62359472) is 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol?
The InChIKey is MSIUTHYKDLPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-7-10(15)6-5-9(11)8-16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4,8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol?
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol has a molecular weight of 257.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62359472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).