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

C18H22FNO — CID 62790493

IUPACN-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)c1ccccc1OC
InChIInChI=1S/C18H22FNO/c1-4-11-20-18(14-7-5-6-8-17(14)21-3)15-12-13(2)9-10-16(15)19/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyQJTSQLWRDSXFJS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

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

N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 62790493) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID62790493
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)c1ccccc1OC
InChIInChI=1S/C18H22FNO/c1-4-11-20-18(14-7-5-6-8-17(14)21-3)15-12-13(2)9-10-16(15)19/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyQJTSQLWRDSXFJS-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
[(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105260703
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 62790493) is N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1F)c1ccccc1OC.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is QJTSQLWRDSXFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-11-20-18(14-7-5-6-8-17(14)21-3)15-12-13(2)9-10-16(15)19/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).