4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine

C13H17ClFNO — CID 62807216

IUPAC4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H17ClFNO/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12H,3-6,8,16H2
InChIKeyAURWESOQTRYURP-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.27
Rot. Bonds3

About 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine

4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine (PubChem CID 62807216) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
PubChem CID62807216
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H17ClFNO/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12H,3-6,8,16H2
InChIKeyAURWESOQTRYURP-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562267
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
CID 63457702
tert-butyl 3-[(2-chloro-4-fluorophenyl)methoxy]azetidine-1-carboxylate
CID 122199847
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine (CID 62807216) is 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine is NC1CCC(OCc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine?
The InChIKey is AURWESOQTRYURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12H,3-6,8,16H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine?
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine has a molecular weight of 257.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 62807216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).