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

C17H19F2NO — CID 81288473

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

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

N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 81288473) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID81288473
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H19F2NO/c1-4-20-17(12-5-7-14(18)11(2)9-12)13-6-8-15(19)16(10-13)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyGQXVPOHETFBERN-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-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(5-bromofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283890
N-[(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102827490
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (CID 81288473) is N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is GQXVPOHETFBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-4-20-17(12-5-7-14(18)11(2)9-12)13-6-8-15(19)16(10-13)21-3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(4-fluoro-3-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-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81288473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).