(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine

C18H28FNO — CID 83059190

IUPAC(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cc(C(C)N[C@@H](C)C2CCCCCC2)ccc1F
InChIInChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)16-10-11-17(19)18(12-16)21-3/h10-15,20H,4-9H2,1-3H3/t13-,14?/m0/s1
InChIKeyKPPJBCYOQCASLZ-LSLKUGRBSA-N
MW293.43 g/mol
LogP4.84
Rot. Bonds5

About (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine (PubChem CID 83059190) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
PubChem CID83059190
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cc(C(C)N[C@@H](C)C2CCCCCC2)ccc1F
InChIInChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)16-10-11-17(19)18(12-16)21-3/h10-15,20H,4-9H2,1-3H3/t13-,14?/m0/s1
InChIKeyKPPJBCYOQCASLZ-LSLKUGRBSA-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

(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1R)-1-cyclobutyl-N-[(1R)-1-(3-methoxy-4-methylsulfonylphenyl)ethyl]ethanamine
CID 97108344
(1S)-1-cyclobutyl-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)ethyl]ethanamine
CID 97108341
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine (CID 83059190) is (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine is COc1cc(C(C)N[C@@H](C)C2CCCCCC2)ccc1F.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The InChIKey is KPPJBCYOQCASLZ-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(15-8-6-4-5-7-9-15)20-14(2)16-10-11-17(19)18(12-16)21-3/h10-15,20H,4-9H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-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 (1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 83059190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).