N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine

C18H22FN — CID 63423907

IUPACN-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-4-11-20-14(3)15-7-5-6-8-16(15)17-12-13(2)9-10-18(17)19/h5-10,12,14,20H,4,11H2,1-3H3
InChIKeyNHFASVVGSHFTCT-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63423907) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
PubChem CID63423907
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-4-11-20-14(3)15-7-5-6-8-16(15)17-12-13(2)9-10-18(17)19/h5-10,12,14,20H,4,11H2,1-3H3
InChIKeyNHFASVVGSHFTCT-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

Analyze N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
1-[2-(2-fluoro-5-methylphenyl)phenyl]-N-methylethanamine
CID 54911598
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
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-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
1-[2-(2,4-dimethylphenyl)phenyl]-N-ethylethanamine
CID 55110501
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine (CID 63423907) is N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1cc(C)ccc1F.
What is the InChIKey of N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is NHFASVVGSHFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-11-20-14(3)15-7-5-6-8-16(15)17-12-13(2)9-10-18(17)19/h5-10,12,14,20H,4,11H2,1-3H3.
What are the key properties of N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(2-fluoro-5-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-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63423907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).