[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine

C15H21ClFNO — CID 117460449

IUPAC[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
SMILESCOc1c(F)cc(Cl)c(C)c1C1(CN)CCCCC1
InChIInChI=1S/C15H21ClFNO/c1-10-11(16)8-12(17)14(19-2)13(10)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyHALIYYDJZOKVKO-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.96
Rot. Bonds3

About [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine

[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine (PubChem CID 117460449) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
PubChem CID117460449
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
SMILESCOc1c(F)cc(Cl)c(C)c1C1(CN)CCCCC1
InChIInChI=1S/C15H21ClFNO/c1-10-11(16)8-12(17)14(19-2)13(10)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyHALIYYDJZOKVKO-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
CID 117361338
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
CID 117476076
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
1-chloro-5-fluoro-3-(1-isocyanatocyclopentyl)-4-methoxy-2-methylbenzene
CID 117456022

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine (CID 117460449) is [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine is COc1c(F)cc(Cl)c(C)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine?
The InChIKey is HALIYYDJZOKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-10-11(16)8-12(17)14(19-2)13(10)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3.
What are the key properties of [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine?
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine has a molecular weight of 285.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117460449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).