1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

C18H21F2N — CID 62605093

IUPAC1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-3-21-16(11-14-9-7-13(2)8-10-14)12-15-5-4-6-17(19)18(15)20/h4-10,16,21H,3,11-12H2,1-2H3
InChIKeyFXQSQWNJWCKYEV-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.04
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 62605093) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
PubChem CID62605093
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-3-21-16(11-14-9-7-13(2)8-10-14)12-15-5-4-6-17(19)18(15)20/h4-10,16,21H,3,11-12H2,1-2H3
InChIKeyFXQSQWNJWCKYEV-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
CID 105137719
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (CID 62605093) is 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine is CCNC(Cc1ccc(C)cc1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is FXQSQWNJWCKYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-16(11-14-9-7-13(2)8-10-14)12-15-5-4-6-17(19)18(15)20/h4-10,16,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 62605093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).