[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine

C15H22FNO2 — CID 117422005

IUPAC[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(OC)c(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H22FNO2/c1-18-11-8-12(14(16)13(9-11)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyBGDSLKXEALBCQH-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.00
Rot. Bonds4

About [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine

[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117422005) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
PubChem CID117422005
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(OC)c(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H22FNO2/c1-18-11-8-12(14(16)13(9-11)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyBGDSLKXEALBCQH-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine (CID 117422005) is [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine is COc1cc(OC)c(F)c(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is BGDSLKXEALBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-11-8-12(14(16)13(9-11)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3.
What are the key properties of [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine?
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117422005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).