3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine

C18H21F2N — CID 105408371

IUPAC3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(F)cc(F)c1)c1cccc(C)c1
InChIInChI=1S/C18H21F2N/c1-3-21-12-16(15-6-4-5-13(2)7-15)8-14-9-17(19)11-18(20)10-14/h4-7,9-11,16,21H,3,8,12H2,1-2H3
InChIKeyZEDXKPIDLBZCPU-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.21
Rot. Bonds6

About 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine

3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 105408371) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
PubChem CID105408371
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(F)cc(F)c1)c1cccc(C)c1
InChIInChI=1S/C18H21F2N/c1-3-21-12-16(15-6-4-5-13(2)7-15)8-14-9-17(19)11-18(20)10-14/h4-7,9-11,16,21H,3,8,12H2,1-2H3
InChIKeyZEDXKPIDLBZCPU-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (CID 105408371) is 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1cc(F)cc(F)c1)c1cccc(C)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is ZEDXKPIDLBZCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-12-16(15-6-4-5-13(2)7-15)8-14-9-17(19)11-18(20)10-14/h4-7,9-11,16,21H,3,8,12H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).