1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine

C16H25FN2O — CID 104794103

IUPAC1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CC(N)C2(N(C)C)CCCC2)c1F
InChIInChI=1S/C16H25FN2O/c1-19(2)16(9-4-5-10-16)14(18)11-12-7-6-8-13(20-3)15(12)17/h6-8,14H,4-5,9-11,18H2,1-3H3
InChIKeyDXWXIHJNPOSTCK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.58
Rot. Bonds5

About 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 104794103) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID104794103
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CC(N)C2(N(C)C)CCCC2)c1F
InChIInChI=1S/C16H25FN2O/c1-19(2)16(9-4-5-10-16)14(18)11-12-7-6-8-13(20-3)15(12)17/h6-8,14H,4-5,9-11,18H2,1-3H3
InChIKeyDXWXIHJNPOSTCK-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-3-methoxyphenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242560
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 105374090
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063733
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 104791155
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 104794103) is 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is COc1cccc(CC(N)C2(N(C)C)CCCC2)c1F.
What is the InChIKey of 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is DXWXIHJNPOSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-19(2)16(9-4-5-10-16)14(18)11-12-7-6-8-13(20-3)15(12)17/h6-8,14H,4-5,9-11,18H2,1-3H3.
What are the key properties of 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104794103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).