2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide

C17H25FN2O — CID 104678073

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-20(15-8-6-7-14(18)11-15)16(21)12-17(13-19)9-4-3-5-10-17/h6-8,11H,2-5,9-10,12-13,19H2,1H3
InChIKeyQJJNOQLFDWRBNI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.48
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide (PubChem CID 104678073) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
PubChem CID104678073
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-20(15-8-6-7-14(18)11-15)16(21)12-17(13-19)9-4-3-5-10-17/h6-8,11H,2-5,9-10,12-13,19H2,1H3
InChIKeyQJJNOQLFDWRBNI-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 104678097
2-(1-aminocyclohexyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734975
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 80589247
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
1-[1-(aminomethyl)cyclohexyl]-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350536
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 63739983

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide (CID 104678073) is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide is CCN(C(=O)CC1(CN)CCCCC1)c1cccc(F)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide?
The InChIKey is QJJNOQLFDWRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-20(15-8-6-7-14(18)11-15)16(21)12-17(13-19)9-4-3-5-10-17/h6-8,11H,2-5,9-10,12-13,19H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 104678073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).