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

C16H21N3O — CID 107208208

IUPAC3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)CCc1ccccn1
InChIInChI=1S/C16H21N3O/c1-19(10-8-15-5-3-4-9-18-15)12-13-6-7-14(17)11-16(13)20-2/h3-7,9,11H,8,10,12,17H2,1-2H3
InChIKeyQHFGMHCATOQDDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds6

About 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline

3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline (PubChem CID 107208208) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
PubChem CID107208208
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)CCc1ccccn1
InChIInChI=1S/C16H21N3O/c1-19(10-8-15-5-3-4-9-18-15)12-13-6-7-14(17)11-16(13)20-2/h3-7,9,11H,8,10,12,17H2,1-2H3
InChIKeyQHFGMHCATOQDDT-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.35
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

4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235
N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 662771
3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
CID 81206702
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 4662476
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
4-fluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzenecarbothioamide
CID 64765776
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline (CID 107208208) is 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline is COc1cc(N)ccc1CN(C)CCc1ccccn1.
What is the InChIKey of 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
The InChIKey is QHFGMHCATOQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(10-8-15-5-3-4-9-18-15)12-13-6-7-14(17)11-16(13)20-2/h3-7,9,11H,8,10,12,17H2,1-2H3.
What are the key properties of 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline?
3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 107208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).