N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline

C16H20N2O2 — CID 39371673

IUPACN-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
SMILESCOc1ccc(N(C)Cc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-18(11-12-4-6-13(17)7-5-12)15-9-8-14(19-2)10-16(15)20-3/h4-10H,11,17H2,1-3H3
InChIKeyITBYXQZBEQFTAE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline

N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline (PubChem CID 39371673) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
PubChem CID39371673
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
SMILESCOc1ccc(N(C)Cc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-18(11-12-4-6-13(17)7-5-12)15-9-8-14(19-2)10-16(15)20-3/h4-10H,11,17H2,1-3H3
InChIKeyITBYXQZBEQFTAE-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091032
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
2-(bromomethyl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081022
[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium
CID 102120560

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline (CID 39371673) is N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline is COc1ccc(N(C)Cc2ccc(N)cc2)c(OC)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline?
The InChIKey is ITBYXQZBEQFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(11-12-4-6-13(17)7-5-12)15-9-8-14(19-2)10-16(15)20-3/h4-10H,11,17H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline?
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline is sourced from PubChem (CID 39371673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).