N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

C18H21F2N — CID 63417284

IUPACN-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N/c1-3-8-21-18(9-14-6-4-13(2)5-7-14)15-10-16(19)12-17(20)11-15/h4-7,10-12,18,21H,3,8-9H2,1-2H3
InChIKeyJQXXFZXNYNSHRB-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.56
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 63417284) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID63417284
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N/c1-3-8-21-18(9-14-6-4-13(2)5-7-14)15-10-16(19)12-17(20)11-15/h4-7,10-12,18,21H,3,8-9H2,1-2H3
InChIKeyJQXXFZXNYNSHRB-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

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (CID 63417284) is N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is JQXXFZXNYNSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-8-21-18(9-14-6-4-13(2)5-7-14)15-10-16(19)12-17(20)11-15/h4-7,10-12,18,21H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-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 N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).