1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine

C13H18FNO — CID 117320330

IUPAC1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(F)ccc1C1(N)CCCC1
InChIInChI=1S/C13H18FNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyFGHWLAIEFTXUIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine

1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine (PubChem CID 117320330) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
PubChem CID117320330
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(F)ccc1C1(N)CCCC1
InChIInChI=1S/C13H18FNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyFGHWLAIEFTXUIR-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421966
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclohexan-1-amine
CID 117444632
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine (CID 117320330) is 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine is COCc1cc(F)ccc1C1(N)CCCC1.
What is the InChIKey of 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The InChIKey is FGHWLAIEFTXUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117320330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).