N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine

C18H22FNO — CID 103943680

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc(F)ccc1C)c1ccccc1OC
InChIInChI=1S/C18H22FNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-12-14-11-15(19)10-9-13(14)2/h5-11,17,20H,4,12H2,1-3H3
InChIKeyLRCCKATXWUGBLR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine

N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 103943680) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID103943680
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc(F)ccc1C)c1ccccc1OC
InChIInChI=1S/C18H22FNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-12-14-11-15(19)10-9-13(14)2/h5-11,17,20H,4,12H2,1-3H3
InChIKeyLRCCKATXWUGBLR-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 62084477
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine (CID 103943680) is N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCc1cc(F)ccc1C)c1ccccc1OC.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is LRCCKATXWUGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-12-14-11-15(19)10-9-13(14)2/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 103943680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).