[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine

C14H20FNO — CID 117347425

IUPAC[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cccc(C2(CN)CCCC2)c1CF
InChIInChI=1S/C14H20FNO/c1-17-13-6-4-5-12(11(13)9-15)14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3
InChIKeyDQNFXEIRVLEYJG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds4

About [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine

[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine (PubChem CID 117347425) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
PubChem CID117347425
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cccc(C2(CN)CCCC2)c1CF
InChIInChI=1S/C14H20FNO/c1-17-13-6-4-5-12(11(13)9-15)14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3
InChIKeyDQNFXEIRVLEYJG-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117391291
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137

Frequently Asked Questions

What is the IUPAC name of [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine (CID 117347425) is [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine is COc1cccc(C2(CN)CCCC2)c1CF.
What is the InChIKey of [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The InChIKey is DQNFXEIRVLEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-13-6-4-5-12(11(13)9-15)14(10-16)7-2-3-8-14/h4-6H,2-3,7-10,16H2,1H3.
What are the key properties of [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).