1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

C14H20FN — CID 105373730

IUPAC1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CC1
InChIInChI=1S/C14H20FN/c1-3-16-14(11-5-6-11)9-12-8-13(15)7-4-10(12)2/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3
InChIKeyGVQRLMOPMLEVDU-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.06
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105373730) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105373730
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CC1
InChIInChI=1S/C14H20FN/c1-3-16-14(11-5-6-11)9-12-8-13(15)7-4-10(12)2/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3
InChIKeyGVQRLMOPMLEVDU-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374247
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
[2-(5-fluoro-2-methylphenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105377829
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105373730) is 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is GVQRLMOPMLEVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-16-14(11-5-6-11)9-12-8-13(15)7-4-10(12)2/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105373730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).