3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine

C18H21F2N — CID 104845522

IUPAC3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-3-21-18(14-8-5-4-6-9-14)13(2)12-15-10-7-11-16(19)17(15)20/h4-11,13,18,21H,3,12H2,1-2H3
InChIKeyPQDBCSFSSILBBK-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.49
Rot. Bonds6

About 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine

3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine (PubChem CID 104845522) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
PubChem CID104845522
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-3-21-18(14-8-5-4-6-9-14)13(2)12-15-10-7-11-16(19)17(15)20/h4-11,13,18,21H,3,12H2,1-2H3
InChIKeyPQDBCSFSSILBBK-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845341
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
CID 105137719
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine (CID 104845522) is 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)Cc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The InChIKey is PQDBCSFSSILBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-18(14-8-5-4-6-9-14)13(2)12-15-10-7-11-16(19)17(15)20/h4-11,13,18,21H,3,12H2,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).