N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine

C18H22FN — CID 79442006

IUPACN-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(16-8-10-18(19)11-9-16)12-15-6-4-14(2)5-7-15/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyIHDMHGCMQMZYGB-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.07
Rot. Bonds6

About N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine

N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 79442006) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID79442006
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(16-8-10-18(19)11-9-16)12-15-6-4-14(2)5-7-15/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyIHDMHGCMQMZYGB-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine (CID 79442006) is N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is IHDMHGCMQMZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-20-13-17(16-8-10-18(19)11-9-16)12-15-6-4-14(2)5-7-15/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine?
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).