[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine

C15H22FNO — CID 81009542

IUPAC[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
SMILESCOc1ccc(C2CCCCCC2CN)cc1F
InChIInChI=1S/C15H22FNO/c1-18-15-8-7-11(9-14(15)16)13-6-4-2-3-5-12(13)10-17/h7-9,12-13H,2-6,10,17H2,1H3
InChIKeyCJDVUVXHLOQQQH-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.46
Rot. Bonds3

About [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine

[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine (PubChem CID 81009542) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
PubChem CID81009542
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
SMILESCOc1ccc(C2CCCCCC2CN)cc1F
InChIInChI=1S/C15H22FNO/c1-18-15-8-7-11(9-14(15)16)13-6-4-2-3-5-12(13)10-17/h7-9,12-13H,2-6,10,17H2,1H3
InChIKeyCJDVUVXHLOQQQH-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
CID 82621572
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 65101265
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine (CID 81009542) is [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine is COc1ccc(C2CCCCCC2CN)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine?
The InChIKey is CJDVUVXHLOQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-15-8-7-11(9-14(15)16)13-6-4-2-3-5-12(13)10-17/h7-9,12-13H,2-6,10,17H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine?
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 81009542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).