3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine

C18H21F2N — CID 114933691

IUPAC3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1c(F)cccc1F)c1ccccc1C
InChIInChI=1S/C18H21F2N/c1-3-21-12-14(15-8-5-4-7-13(15)2)11-16-17(19)9-6-10-18(16)20/h4-10,14,21H,3,11-12H2,1-2H3
InChIKeyMJMRSVABSPCXMR-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.21
Rot. Bonds6

About 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine

3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 114933691) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
PubChem CID114933691
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1c(F)cccc1F)c1ccccc1C
InChIInChI=1S/C18H21F2N/c1-3-21-12-14(15-8-5-4-7-13(15)2)11-16-17(19)9-6-10-18(16)20/h4-10,14,21H,3,11-12H2,1-2H3
InChIKeyMJMRSVABSPCXMR-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-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79421092
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine (CID 114933691) is 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1c(F)cccc1F)c1ccccc1C.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is MJMRSVABSPCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-12-14(15-8-5-4-7-13(15)2)11-16-17(19)9-6-10-18(16)20/h4-10,14,21H,3,11-12H2,1-2H3.
What are the key properties of 3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine?
3-(2,6-difluorophenyl)-N-ethyl-2-(2-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-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 114933691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).