3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline

C16H20N2O — CID 116951951

IUPAC3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H20N2O/c1-17-14-6-4-5-13(11-14)16(18-2)12-7-9-15(19-3)10-8-12/h4-11,16-18H,1-3H3
InChIKeyBWESSBMLHMALHE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.05
Rot. Bonds5

About 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline

3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline (PubChem CID 116951951) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
PubChem CID116951951
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H20N2O/c1-17-14-6-4-5-13(11-14)16(18-2)12-7-9-15(19-3)10-8-12/h4-11,16-18H,1-3H3
InChIKeyBWESSBMLHMALHE-UHFFFAOYSA-N
XLogP3.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline (CID 116951951) is 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline is CNc1cccc(C(NC)c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The InChIKey is BWESSBMLHMALHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-14-6-4-5-13(11-14)16(18-2)12-7-9-15(19-3)10-8-12/h4-11,16-18H,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline is sourced from PubChem (CID 116951951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).