1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine

C12H15ClFN — CID 117327946

IUPAC1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
SMILESNC1(c2cccc(F)c2Cl)CCCCC1
InChIInChI=1S/C12H15ClFN/c13-11-9(5-4-6-10(11)14)12(15)7-2-1-3-8-12/h4-6H,1-3,7-8,15H2
InChIKeyILZQPRNWZMGNBP-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.60
Rot. Bonds1

About 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine

1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine (PubChem CID 117327946) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
PubChem CID117327946
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
SMILESNC1(c2cccc(F)c2Cl)CCCCC1
InChIInChI=1S/C12H15ClFN/c13-11-9(5-4-6-10(11)14)12(15)7-2-1-3-8-12/h4-6H,1-3,7-8,15H2
InChIKeyILZQPRNWZMGNBP-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)cyclopentan-1-amine
CID 62788667
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
CID 166124265
1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine (CID 117327946) is 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine is NC1(c2cccc(F)c2Cl)CCCCC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine?
The InChIKey is ILZQPRNWZMGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-9(5-4-6-10(11)14)12(15)7-2-1-3-8-12/h4-6H,1-3,7-8,15H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine?
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 117327946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).