N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

C16H17F2NO — CID 171329064

IUPACN-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-19(10-12-4-3-5-15(8-12)20-2)11-13-9-14(17)6-7-16(13)18/h3-9H,10-11H2,1-2H3
InChIKeyPWLCCHYUJSUOIS-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.61
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 171329064) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID171329064
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-19(10-12-4-3-5-15(8-12)20-2)11-13-9-14(17)6-7-16(13)18/h3-9H,10-11H2,1-2H3
InChIKeyPWLCCHYUJSUOIS-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 101056991
3-bromo-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420019
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (CID 171329064) is N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is COc1cccc(CN(C)Cc2cc(F)ccc2F)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is PWLCCHYUJSUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19(10-12-4-3-5-15(8-12)20-2)11-13-9-14(17)6-7-16(13)18/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 171329064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).