N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine

C17H19F2NO — CID 60964653

IUPACN-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C17H19F2NO/c1-4-20-17(12-7-5-6-11(2)8-12)16-14(18)9-13(21-3)10-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyAYGCOXGZUSJWLY-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.98
Rot. Bonds5

About N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine

N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 60964653) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID60964653
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C17H19F2NO/c1-4-20-17(12-7-5-6-11(2)8-12)16-14(18)9-13(21-3)10-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyAYGCOXGZUSJWLY-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(3-bromo-2,6-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 106942276
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(5-chlorofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 106684353
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 60964485
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (CID 60964653) is N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1c(F)cc(OC)cc1F.
What is the InChIKey of N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is AYGCOXGZUSJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-4-20-17(12-7-5-6-11(2)8-12)16-14(18)9-13(21-3)10-15(16)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 60964653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).