N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C18H28FNO — CID 81301647

IUPACN-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CCCC(CC)C1
InChIInChI=1S/C18H28FNO/c1-4-13-7-6-8-14(11-13)18(20-5-2)16-10-9-15(21-3)12-17(16)19/h9-10,12-14,18,20H,4-8,11H2,1-3H3
InChIKeyGIVBVQHIQPHGKC-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.70
Rot. Bonds6

About N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 81301647) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID81301647
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CCCC(CC)C1
InChIInChI=1S/C18H28FNO/c1-4-13-7-6-8-14(11-13)18(20-5-2)16-10-9-15(21-3)12-17(16)19/h9-10,12-14,18,20H,4-8,11H2,1-3H3
InChIKeyGIVBVQHIQPHGKC-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2-bromo-3,4-difluorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107539188
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
N-[(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395777
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 81301647) is N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1F)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is GIVBVQHIQPHGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-13-7-6-8-14(11-13)18(20-5-2)16-10-9-15(21-3)12-17(16)19/h9-10,12-14,18,20H,4-8,11H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).