1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine

C15H21F2N — CID 107514365

IUPAC1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C15H21F2N/c1-3-18-13(11-6-7-11)9-8-12-5-4-10(2)14(16)15(12)17/h4-5,11,13,18H,3,6-9H2,1-2H3
InChIKeyLRNJWCYAEQVEKJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.59
Rot. Bonds6

About 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine

1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine (PubChem CID 107514365) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
PubChem CID107514365
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C15H21F2N/c1-3-18-13(11-6-7-11)9-8-12-5-4-10(2)14(16)15(12)17/h4-5,11,13,18H,3,6-9H2,1-2H3
InChIKeyLRNJWCYAEQVEKJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272541
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105154585
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 106264660

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine (CID 107514365) is 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine is CCNC(CCc1ccc(C)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine?
The InChIKey is LRNJWCYAEQVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-18-13(11-6-7-11)9-8-12-5-4-10(2)14(16)15(12)17/h4-5,11,13,18H,3,6-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine?
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107514365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).