2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline

C16H20N2O2 — CID 81299533

IUPAC2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2cc(OC)ccc2CN)cc1
InChIInChI=1S/C16H20N2O2/c1-18(13-5-8-14(19-2)9-6-13)16-10-15(20-3)7-4-12(16)11-17/h4-10H,11,17H2,1-3H3
InChIKeyCSCIDMULUYAETK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds5

About 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline

2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline (PubChem CID 81299533) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
PubChem CID81299533
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2cc(OC)ccc2CN)cc1
InChIInChI=1S/C16H20N2O2/c1-18(13-5-8-14(19-2)9-6-13)16-10-15(20-3)7-4-12(16)11-17/h4-10H,11,17H2,1-3H3
InChIKeyCSCIDMULUYAETK-UHFFFAOYSA-N
XLogP2.93
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
CID 81299543
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
CID 81300212
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
CID 155696635
CID 155696635
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline (CID 81299533) is 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline is COc1ccc(N(C)c2cc(OC)ccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is CSCIDMULUYAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(13-5-8-14(19-2)9-6-13)16-10-15(20-3)7-4-12(16)11-17/h4-10H,11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline?
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 81299533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).