3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine

C14H20FNO — CID 103396773

IUPAC3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(OC)cc2F)C1C
InChIInChI=1S/C14H20FNO/c1-9-11(6-7-14(9)16-2)12-5-4-10(17-3)8-13(12)15/h4-5,8-9,11,14,16H,6-7H2,1-3H3
InChIKeyZFZGLTHXJFNZJO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

About 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine

3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 103396773) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID103396773
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(OC)cc2F)C1C
InChIInChI=1S/C14H20FNO/c1-9-11(6-7-14(9)16-2)12-5-4-10(17-3)8-13(12)15/h4-5,8-9,11,14,16H,6-7H2,1-3H3
InChIKeyZFZGLTHXJFNZJO-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (CID 103396773) is 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(c2ccc(OC)cc2F)C1C.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is ZFZGLTHXJFNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-11(6-7-14(9)16-2)12-5-4-10(17-3)8-13(12)15/h4-5,8-9,11,14,16H,6-7H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 103396773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).