4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine

C18H21F2N — CID 114934436

IUPAC4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-21-18(14-8-4-3-5-9-14)13-6-10-15-16(19)11-7-12-17(15)20/h3-5,7-9,11-12,18,21H,2,6,10,13H2,1H3
InChIKeyLZNIYWCWBGRUQD-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.64
Rot. Bonds7

About 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine

4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine (PubChem CID 114934436) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
PubChem CID114934436
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-21-18(14-8-4-3-5-9-14)13-6-10-15-16(19)11-7-12-17(15)20/h3-5,7-9,11-12,18,21H,2,6,10,13H2,1H3
InChIKeyLZNIYWCWBGRUQD-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine (CID 114934436) is 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine is CCNC(CCCc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is LZNIYWCWBGRUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-21-18(14-8-4-3-5-9-14)13-6-10-15-16(19)11-7-12-17(15)20/h3-5,7-9,11-12,18,21H,2,6,10,13H2,1H3.
What are the key properties of 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 114934436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).