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

C18H21F2N — CID 81027876

IUPAC4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-21-13-16(14-6-4-3-5-7-14)9-8-15-10-11-17(19)12-18(15)20/h3-7,10-12,16,21H,2,8-9,13H2,1H3
InChIKeyCNQVQDHLNCPLIT-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.29
Rot. Bonds7

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

4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 81027876) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID81027876
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-21-13-16(14-6-4-3-5-7-14)9-8-15-10-11-17(19)12-18(15)20/h3-7,10-12,16,21H,2,8-9,13H2,1H3
InChIKeyCNQVQDHLNCPLIT-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine (CID 81027876) is 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine is CCNCC(CCc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is CNQVQDHLNCPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-21-13-16(14-6-4-3-5-7-14)9-8-15-10-11-17(19)12-18(15)20/h3-7,10-12,16,21H,2,8-9,13H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81027876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).