N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine

C17H26FN — CID 63415167

IUPACN-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1CCCC(C)C1
InChIInChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyAQRASDCRYXFVTP-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.17
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine

N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 63415167) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID63415167
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1CCCC(C)C1
InChIInChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyAQRASDCRYXFVTP-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 64905384
[2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210294
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine (CID 63415167) is N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine is CCNC(Cc1ccc(F)cc1)C1CCCC(C)C1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is AQRASDCRYXFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63415167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).