3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

C14H20FNO — CID 104795133

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(CC2CCC(N)C2C)c1F
InChIInChI=1S/C14H20FNO/c1-9-10(6-7-12(9)16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10,12H,6-8,16H2,1-2H3
InChIKeyUNTJULYVPWEFRG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.75
Rot. Bonds3

About 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 104795133) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID104795133
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(CC2CCC(N)C2C)c1F
InChIInChI=1S/C14H20FNO/c1-9-10(6-7-12(9)16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10,12H,6-8,16H2,1-2H3
InChIKeyUNTJULYVPWEFRG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462
3-bromo-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794463
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (CID 104795133) is 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is COc1cccc(CC2CCC(N)C2C)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is UNTJULYVPWEFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-10(6-7-12(9)16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10,12H,6-8,16H2,1-2H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 104795133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).