[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine

C16H23ClFN — CID 117456606

IUPAC[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
SMILESCC(C)(F)c1ccc(C2(CN)CCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClFN/c1-15(2,18)12-6-7-13(14(17)10-12)16(11-19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,19H2,1-2H3
InChIKeyTWLVKQUFQOFGME-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.71
Rot. Bonds3

About [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine

[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine (PubChem CID 117456606) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
PubChem CID117456606
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
SMILESCC(C)(F)c1ccc(C2(CN)CCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClFN/c1-15(2,18)12-6-7-13(14(17)10-12)16(11-19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,19H2,1-2H3
InChIKeyTWLVKQUFQOFGME-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117393045
1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
CID 117356588
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117327861
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
CID 117492418
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine (CID 117456606) is [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine is CC(C)(F)c1ccc(C2(CN)CCCCC2)c(Cl)c1.
What is the InChIKey of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine?
The InChIKey is TWLVKQUFQOFGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-15(2,18)12-6-7-13(14(17)10-12)16(11-19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,19H2,1-2H3.
What are the key properties of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine?
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine has a molecular weight of 283.82 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117456606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).