(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine

C18H28FNO — CID 81391387

IUPAC(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)17-11-10-16(21-3)12-18(17)19/h10-15,20H,4-9H2,1-3H3/t13-,14?/m1/s1
InChIKeyYFOOTMKXHOCRRG-KWCCSABGSA-N
MW293.43 g/mol
LogP4.84
Rot. Bonds5

About (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine

(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine (PubChem CID 81391387) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
PubChem CID81391387
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)17-11-10-16(21-3)12-18(17)19/h10-15,20H,4-9H2,1-3H3/t13-,14?/m1/s1
InChIKeyYFOOTMKXHOCRRG-KWCCSABGSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347856
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 98264241
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine (CID 81391387) is (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine is COc1ccc(C(C)N[C@H](C)C2CCCCCC2)c(F)c1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is YFOOTMKXHOCRRG-KWCCSABGSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)17-11-10-16(21-3)12-18(17)19/h10-15,20H,4-9H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine?
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 81391387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).