N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen

C16H20FNO2 — CID 164870346

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
SMILESCOc1ccc(CNc2cccc(C)c2F)cc1OC.[H][H]
InChIInChI=1S/C16H18FNO2.H2/c1-11-5-4-6-13(16(11)17)18-10-12-7-8-14(19-2)15(9-12)20-3;/h4-9,18H,10H2,1-3H3;1H
InChIKeyCLQJPOWTAMMRIP-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.01
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen

N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen (PubChem CID 164870346) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
PubChem CID164870346
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
SMILESCOc1ccc(CNc2cccc(C)c2F)cc1OC.[H][H]
InChIInChI=1S/C16H18FNO2.H2/c1-11-5-4-6-13(16(11)17)18-10-12-7-8-14(19-2)15(9-12)20-3;/h4-9,18H,10H2,1-3H3;1H
InChIKeyCLQJPOWTAMMRIP-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430215
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen (CID 164870346) is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen is COc1ccc(CNc2cccc(C)c2F)cc1OC.[H][H].
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen?
The InChIKey is CLQJPOWTAMMRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2.H2/c1-11-5-4-6-13(16(11)17)18-10-12-7-8-14(19-2)15(9-12)20-3;/h4-9,18H,10H2,1-3H3;1H.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen?
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen has a molecular weight of 277.34 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen is sourced from PubChem (CID 164870346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).