1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine

C15H22FNO2 — CID 117421996

IUPAC1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(OC)cc1C(C)F
InChIInChI=1S/C15H22FNO2/c1-10(16)11-8-14(19-3)12(9-13(11)18-2)15(17)6-4-5-7-15/h8-10H,4-7,17H2,1-3H3
InChIKeyOHYNBKQGWYVUBR-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine

1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine (PubChem CID 117421996) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
PubChem CID117421996
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(OC)cc1C(C)F
InChIInChI=1S/C15H22FNO2/c1-10(16)11-8-14(19-3)12(9-13(11)18-2)15(17)6-4-5-7-15/h8-10H,4-7,17H2,1-3H3
InChIKeyOHYNBKQGWYVUBR-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine (CID 117421996) is 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine is COc1cc(C2(N)CCCC2)c(OC)cc1C(C)F.
What is the InChIKey of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine?
The InChIKey is OHYNBKQGWYVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(16)11-8-14(19-3)12(9-13(11)18-2)15(17)6-4-5-7-15/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine?
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine is sourced from PubChem (CID 117421996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).