2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine

C14H20FN — CID 64906377

IUPAC2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(CC1CC1)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FN/c1-3-16-14(8-11-5-6-11)12-7-4-10(2)13(15)9-12/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3
InChIKeyZQBDPOZOJUNURR-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.58
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine

2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 64906377) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID64906377
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(CC1CC1)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FN/c1-3-16-14(8-11-5-6-11)12-7-4-10(2)13(15)9-12/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3
InChIKeyZQBDPOZOJUNURR-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
CID 175168878
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810
N-[2-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107130330
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine (CID 64906377) is 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine is CCNC(CC1CC1)c1ccc(C)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is ZQBDPOZOJUNURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-16-14(8-11-5-6-11)12-7-4-10(2)13(15)9-12/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 64906377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).