2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline

C17H23N3O — CID 82256061

IUPAC2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline
SMILESCOc1ccc(CCN(C)CCc2ccncc2)cc1N
InChIInChI=1S/C17H23N3O/c1-20(11-7-14-5-9-19-10-6-14)12-8-15-3-4-17(21-2)16(18)13-15/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3
InChIKeyXQVRYSVWXPTIOD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.39
Rot. Bonds7

About 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline

2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline (PubChem CID 82256061) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline
PubChem CID82256061
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline
SMILESCOc1ccc(CCN(C)CCc2ccncc2)cc1N
InChIInChI=1S/C17H23N3O/c1-20(11-7-14-5-9-19-10-6-14)12-8-15-3-4-17(21-2)16(18)13-15/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3
InChIKeyXQVRYSVWXPTIOD-UHFFFAOYSA-N
XLogP2.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline
CID 82256111
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
CID 82474391
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline?
The IUPAC name of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline (CID 82256061) is 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline is COc1ccc(CCN(C)CCc2ccncc2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline?
The InChIKey is XQVRYSVWXPTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(11-7-14-5-9-19-10-6-14)12-8-15-3-4-17(21-2)16(18)13-15/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3.
What are the key properties of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline?
2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline is sourced from PubChem (CID 82256061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).