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

C14H20FNO — CID 64909846

IUPAC3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(OC)c(F)c2)C1C
InChIInChI=1S/C14H20FNO/c1-9-11(5-6-13(9)16-2)10-4-7-14(17-3)12(15)8-10/h4,7-9,11,13,16H,5-6H2,1-3H3
InChIKeyZOHKYJZPZOPCJQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

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

3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 64909846) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID64909846
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(OC)c(F)c2)C1C
InChIInChI=1S/C14H20FNO/c1-9-11(5-6-13(9)16-2)10-4-7-14(17-3)12(15)8-10/h4,7-9,11,13,16H,5-6H2,1-3H3
InChIKeyZOHKYJZPZOPCJQ-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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Related Compounds

3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 79697517
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
3-(2-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 103396773
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (CID 64909846) is 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(c2ccc(OC)c(F)c2)C1C.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is ZOHKYJZPZOPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-11(5-6-13(9)16-2)10-4-7-14(17-3)12(15)8-10/h4,7-9,11,13,16H,5-6H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
3-(3-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-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).