1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine

C18H21F2N — CID 115794160

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-3-21-18(10-9-14-7-5-4-6-8-14)15-11-13(2)16(19)12-17(15)20/h4-8,11-12,18,21H,3,9-10H2,1-2H3
InChIKeyMDVOLWWLQWOZLN-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.56
Rot. Bonds6

About 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 115794160) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID115794160
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-3-21-18(10-9-14-7-5-4-6-8-14)15-11-13(2)16(19)12-17(15)20/h4-8,11-12,18,21H,3,9-10H2,1-2H3
InChIKeyMDVOLWWLQWOZLN-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302765
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine (CID 115794160) is 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is MDVOLWWLQWOZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-18(10-9-14-7-5-4-6-8-14)15-11-13(2)16(19)12-17(15)20/h4-8,11-12,18,21H,3,9-10H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).