N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine

C15H22FNO2 — CID 103082815

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cccc(F)c1C(C)NC1CCC(OC)C1
InChIInChI=1S/C15H22FNO2/c1-10(17-11-7-8-12(9-11)18-2)15-13(16)5-4-6-14(15)19-3/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyYEUKUIGPAWOWLB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine (PubChem CID 103082815) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
PubChem CID103082815
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cccc(F)c1C(C)NC1CCC(OC)C1
InChIInChI=1S/C15H22FNO2/c1-10(17-11-7-8-12(9-11)18-2)15-13(16)5-4-6-14(15)19-3/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyYEUKUIGPAWOWLB-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977664
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786239
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115724420
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine (CID 103082815) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine is COc1cccc(F)c1C(C)NC1CCC(OC)C1.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine?
The InChIKey is YEUKUIGPAWOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(17-11-7-8-12(9-11)18-2)15-13(16)5-4-6-14(15)19-3/h4-6,10-12,17H,7-9H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103082815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).