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

C18H25N3O — CID 82256111

IUPAC2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline
SMILESCOc1ccc(CC(C)N(C)CCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14(12-16-4-5-18(22-3)17(19)13-16)21(2)11-8-15-6-9-20-10-7-15/h4-7,9-10,13-14H,8,11-12,19H2,1-3H3
InChIKeyWSFVMPXHIFWZHX-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.78
Rot. Bonds7

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

2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline (PubChem CID 82256111) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline
PubChem CID82256111
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline
SMILESCOc1ccc(CC(C)N(C)CCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14(12-16-4-5-18(22-3)17(19)13-16)21(2)11-8-15-6-9-20-10-7-15/h4-7,9-10,13-14H,8,11-12,19H2,1-3H3
InChIKeyWSFVMPXHIFWZHX-UHFFFAOYSA-N
XLogP2.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.78
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]ethyl]aniline
CID 82256061
3-[1-(3-amino-4-methoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 82256121
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline (CID 82256111) is 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline is COc1ccc(CC(C)N(C)CCc2ccncc2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline?
The InChIKey is WSFVMPXHIFWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(12-16-4-5-18(22-3)17(19)13-16)21(2)11-8-15-6-9-20-10-7-15/h4-7,9-10,13-14H,8,11-12,19H2,1-3H3.
What are the key properties of 2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline?
2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline has a molecular weight of 299.42 g/mol, XLogP of 2.78, 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]propyl]aniline is sourced from PubChem (CID 82256111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).