N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine

C15H22FNO — CID 104792652

IUPACN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1Cc1cccc(OC)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-13-8-4-6-11(13)10-12-7-5-9-14(18-2)15(12)16/h5,7,9,11,13,17H,3-4,6,8,10H2,1-2H3
InChIKeyXARGIMVIRVSYKZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine

N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 104792652) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID104792652
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1Cc1cccc(OC)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-13-8-4-6-11(13)10-12-7-5-9-14(18-2)15(12)16/h5,7,9,11,13,17H,3-4,6,8,10H2,1-2H3
InChIKeyXARGIMVIRVSYKZ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine (CID 104792652) is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine is CCNC1CCCC1Cc1cccc(OC)c1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is XARGIMVIRVSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-13-8-4-6-11(13)10-12-7-5-9-14(18-2)15(12)16/h5,7,9,11,13,17H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine?
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 104792652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).