N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

C18H21F2N — CID 63526394

IUPACN-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N/c1-3-10-21-17(12-14-7-4-6-13(2)11-14)18-15(19)8-5-9-16(18)20/h4-9,11,17,21H,3,10,12H2,1-2H3
InChIKeyRYTSKHUYFFPJSQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.56
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 63526394) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID63526394
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N/c1-3-10-21-17(12-14-7-4-6-13(2)11-14)18-15(19)8-5-9-16(18)20/h4-9,11,17,21H,3,10,12H2,1-2H3
InChIKeyRYTSKHUYFFPJSQ-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-[1-(2-chloro-6-fluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63528128
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 63526394) is N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is RYTSKHUYFFPJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-10-21-17(12-14-7-4-6-13(2)11-14)18-15(19)8-5-9-16(18)20/h4-9,11,17,21H,3,10,12H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(2,6-difluorophenyl)-2-(3-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-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63526394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).