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

C16H24FNO — CID 104795135

IUPACN-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cccc(OC)c2F)C1C
InChIInChI=1S/C16H24FNO/c1-4-18-14-9-8-12(11(14)2)10-13-6-5-7-15(19-3)16(13)17/h5-7,11-12,14,18H,4,8-10H2,1-3H3
InChIKeyBQKRPXACPBYTGL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.40
Rot. Bonds5

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

N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 104795135) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID104795135
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cccc(OC)c2F)C1C
InChIInChI=1S/C16H24FNO/c1-4-18-14-9-8-12(11(14)2)10-13-6-5-7-15(19-3)16(13)17/h5-7,11-12,14,18H,4,8-10H2,1-3H3
InChIKeyBQKRPXACPBYTGL-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
CID 102620493
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (CID 104795135) is N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is CCNC1CCC(Cc2cccc(OC)c2F)C1C.
What is the InChIKey of N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is BQKRPXACPBYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-18-14-9-8-12(11(14)2)10-13-6-5-7-15(19-3)16(13)17/h5-7,11-12,14,18H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 104795135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).