[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine

C14H20FNO — CID 82782278

IUPAC[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(F)cc1C1CCCCC1CN
InChIInChI=1S/C14H20FNO/c1-17-14-7-6-11(15)8-13(14)12-5-3-2-4-10(12)9-16/h6-8,10,12H,2-5,9,16H2,1H3
InChIKeyQQKXVPLPBPPPBJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.07
Rot. Bonds3

About [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine

[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 82782278) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
PubChem CID82782278
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(F)cc1C1CCCCC1CN
InChIInChI=1S/C14H20FNO/c1-17-14-7-6-11(15)8-13(14)12-5-3-2-4-10(12)9-16/h6-8,10,12H,2-5,9,16H2,1H3
InChIKeyQQKXVPLPBPPPBJ-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
CID 46937337
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
CID 86287636

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine (CID 82782278) is [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine is COc1ccc(F)cc1C1CCCCC1CN.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is QQKXVPLPBPPPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-14-7-6-11(15)8-13(14)12-5-3-2-4-10(12)9-16/h6-8,10,12H,2-5,9,16H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 82782278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).