N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

C18H22FNO — CID 62514109

IUPACN-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H22FNO/c1-5-20-18(16-10-12(2)6-9-17(16)19)15-8-7-14(21-4)11-13(15)3/h6-11,18,20H,5H2,1-4H3
InChIKeyGTJXSQBNFRJDQJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (PubChem CID 62514109) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
PubChem CID62514109
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H22FNO/c1-5-20-18(16-10-12(2)6-9-17(16)19)15-8-7-14(21-4)11-13(15)3/h6-11,18,20H,5H2,1-4H3
InChIKeyGTJXSQBNFRJDQJ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62514992
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (CID 62514109) is N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)c1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The InChIKey is GTJXSQBNFRJDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-5-20-18(16-10-12(2)6-9-17(16)19)15-8-7-14(21-4)11-13(15)3/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.15, 5 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)-(4-methoxy-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62514109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).