3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine

C14H20FNO — CID 116538891

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(CC2(C)CCC(N)C2)cc1F
InChIInChI=1S/C14H20FNO/c1-14(6-5-11(16)9-14)8-10-3-4-13(17-2)12(15)7-10/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyCUEPEHXZGIGMBE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.89
Rot. Bonds3

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine

3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 116538891) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID116538891
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(CC2(C)CCC(N)C2)cc1F
InChIInChI=1S/C14H20FNO/c1-14(6-5-11(16)9-14)8-10-3-4-13(17-2)12(15)7-10/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyCUEPEHXZGIGMBE-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64595828
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
1-[(3-fluoro-4-methoxyphenyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663938
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine (CID 116538891) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine is COc1ccc(CC2(C)CCC(N)C2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is CUEPEHXZGIGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(6-5-11(16)9-14)8-10-3-4-13(17-2)12(15)7-10/h3-4,7,11H,5-6,8-9,16H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).