N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine

C14H20FNO — CID 64504260

IUPACN-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCNC1CCC(c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-3-16-12-6-4-10(8-12)11-5-7-14(17-2)13(15)9-11/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3
InChIKeyLYBCKYPOTFPYCP-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine

N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine (PubChem CID 64504260) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
PubChem CID64504260
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCNC1CCC(c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-3-16-12-6-4-10(8-12)11-5-7-14(17-2)13(15)9-11/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3
InChIKeyLYBCKYPOTFPYCP-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
CID 64506168
N-ethyl-3-(2-fluoro-3-methoxyphenyl)cyclopentan-1-amine
CID 82812559
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
CID 154879757
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine (CID 64504260) is N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine is CCNC1CCC(c2ccc(OC)c(F)c2)C1.
What is the InChIKey of N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is LYBCKYPOTFPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16-12-6-4-10(8-12)11-5-7-14(17-2)13(15)9-11/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3.
What are the key properties of N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 64504260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).