N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

C16H24FNO — CID 80704998

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C16H24FNO/c1-11(18-13-7-8-16(2,3)10-13)14-9-12(17)5-6-15(14)19-4/h5-6,9,11,13,18H,7-8,10H2,1-4H3
InChIKeyJLMXEXYGWUXSID-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80704998) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80704998
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C16H24FNO/c1-11(18-13-7-8-16(2,3)10-13)14-9-12(17)5-6-15(14)19-4/h5-6,9,11,13,18H,7-8,10H2,1-4H3
InChIKeyJLMXEXYGWUXSID-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
CID 102671616
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
1-cyclopropyl-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]thiourea
CID 75415350
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 80704998) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is COc1ccc(F)cc1C(C)NC1CCC(C)(C)C1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is JLMXEXYGWUXSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(18-13-7-8-16(2,3)10-13)14-9-12(17)5-6-15(14)19-4/h5-6,9,11,13,18H,7-8,10H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80704998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).