2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine

C15H17ClN2O — CID 133378986

IUPAC2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
SMILESCOc1ccccc1CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-18(13-7-9-17-15(16)11-13)10-8-12-5-3-4-6-14(12)19-2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyFXLYYJKPYIMQJY-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine

2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine (PubChem CID 133378986) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
PubChem CID133378986
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
SMILESCOc1ccccc1CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-18(13-7-9-17-15(16)11-13)10-8-12-5-3-4-6-14(12)19-2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyFXLYYJKPYIMQJY-UHFFFAOYSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine (CID 133378986) is 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine is COc1ccccc1CCN(C)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The InChIKey is FXLYYJKPYIMQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(13-7-9-17-15(16)11-13)10-8-12-5-3-4-6-14(12)19-2/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine?
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 133378986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).