4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline

C18H24N2O2 — CID 10447541

IUPAC4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
SMILESCOc1ccc(CN(C)CCc2ccc(N)cc2)cc1OC
InChIInChI=1S/C18H24N2O2/c1-20(11-10-14-4-7-16(19)8-5-14)13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12H,10-11,13,19H2,1-3H3
InChIKeyVEIZXVORFNYOEM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.96
Rot. Bonds7

About 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline

4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline (PubChem CID 10447541) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
PubChem CID10447541
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
SMILESCOc1ccc(CN(C)CCc2ccc(N)cc2)cc1OC
InChIInChI=1S/C18H24N2O2/c1-20(11-10-14-4-7-16(19)8-5-14)13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12H,10-11,13,19H2,1-3H3
InChIKeyVEIZXVORFNYOEM-UHFFFAOYSA-N
XLogP2.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(3-butoxy-4-methoxyphenyl)methyl-methylamino]ethyl]aniline
CID 20646928
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
2-[4-[(3,4-dimethoxyphenyl)methyl-methylamino]butyl]aniline
CID 54036285

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline?
The IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline (CID 10447541) is 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline.
What is the SMILES notation for 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline?
The canonical SMILES for 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline is COc1ccc(CN(C)CCc2ccc(N)cc2)cc1OC.
What is the InChIKey of 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline?
The InChIKey is VEIZXVORFNYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(11-10-14-4-7-16(19)8-5-14)13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12H,10-11,13,19H2,1-3H3.
What are the key properties of 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline?
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline has a molecular weight of 300.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline is sourced from PubChem (CID 10447541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).