2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine

C15H22FN — CID 105016424

IUPAC2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
SMILESCCNC(c1cc(C)cc(F)c1)C(C)C1CC1
InChIInChI=1S/C15H22FN/c1-4-17-15(11(3)12-5-6-12)13-7-10(2)8-14(16)9-13/h7-9,11-12,15,17H,4-6H2,1-3H3
InChIKeyMDZYZMUXYAGCGD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.83
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine (PubChem CID 105016424) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
PubChem CID105016424
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
SMILESCCNC(c1cc(C)cc(F)c1)C(C)C1CC1
InChIInChI=1S/C15H22FN/c1-4-17-15(11(3)12-5-6-12)13-7-10(2)8-14(16)9-13/h7-9,11-12,15,17H,4-6H2,1-3H3
InChIKeyMDZYZMUXYAGCGD-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine (CID 105016424) is 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine is CCNC(c1cc(C)cc(F)c1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine?
The InChIKey is MDZYZMUXYAGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-17-15(11(3)12-5-6-12)13-7-10(2)8-14(16)9-13/h7-9,11-12,15,17H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.83, 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-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 105016424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).