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

C17H19F2NO — CID 79722384

IUPACN-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)c1c(F)cccc1OC
InChIInChI=1S/C17H19F2NO/c1-4-20-17(12-8-9-13(18)11(2)10-12)16-14(19)6-5-7-15(16)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyJGMLDACXNYJWIP-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.98
Rot. Bonds5

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

N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 79722384) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID79722384
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)c1c(F)cccc1OC
InChIInChI=1S/C17H19F2NO/c1-4-20-17(12-8-9-13(18)11(2)10-12)16-14(19)6-5-7-15(16)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyJGMLDACXNYJWIP-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-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62801895
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (CID 79722384) is N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)c1c(F)cccc1OC.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is JGMLDACXNYJWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-4-20-17(12-8-9-13(18)11(2)10-12)16-14(19)6-5-7-15(16)21-3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-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-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 79722384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).