N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine

C18H22FN — CID 115502854

IUPACN-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cccc(F)c1C
InChIInChI=1S/C18H22FN/c1-4-12-20-14(3)16-8-5-6-9-17(16)15-10-7-11-18(19)13(15)2/h5-11,14,20H,4,12H2,1-3H3
InChIKeyMHTYEDHANWLJMY-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 115502854) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
PubChem CID115502854
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cccc(F)c1C
InChIInChI=1S/C18H22FN/c1-4-12-20-14(3)16-8-5-6-9-17(16)15-10-7-11-18(19)13(15)2/h5-11,14,20H,4,12H2,1-3H3
InChIKeyMHTYEDHANWLJMY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine (CID 115502854) is N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1cccc(F)c1C.
What is the InChIKey of N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is MHTYEDHANWLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-12-20-14(3)16-8-5-6-9-17(16)15-10-7-11-18(19)13(15)2/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115502854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).