4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride

C14H17ClN2O — CID 23724389

IUPAC4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride
SMILESCOc1ccc(NCCc2ccccn2)cc1.Cl
InChIInChI=1S/C14H16N2O.ClH/c1-17-14-7-5-13(6-8-14)16-11-9-12-4-2-3-10-15-12;/h2-8,10,16H,9,11H2,1H3;1H
InChIKeyTZEPGJIMHHBMDM-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.17
Rot. Bonds5

About 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride

4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride (PubChem CID 23724389) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride
PubChem CID23724389
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride
SMILESCOc1ccc(NCCc2ccccn2)cc1.Cl
InChIInChI=1S/C14H16N2O.ClH/c1-17-14-7-5-13(6-8-14)16-11-9-12-4-2-3-10-15-12;/h2-8,10,16H,9,11H2,1H3;1H
InChIKeyTZEPGJIMHHBMDM-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
3-(Pyridin-2-yloxy)aniline
CID 13150573
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
6-Phenoxy-3-pyridinamine
CID 212856
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
1-(4-methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea
CID 9554754
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
N-(4-methoxyphenyl)-3-nitropyridin-4-amine
CID 2944858
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-(4-methoxyphenyl)-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
CID 6180769

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride?
The IUPAC name of 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride (CID 23724389) is 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride?
The canonical SMILES for 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride is COc1ccc(NCCc2ccccn2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride?
The InChIKey is TZEPGJIMHHBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c1-17-14-7-5-13(6-8-14)16-11-9-12-4-2-3-10-15-12;/h2-8,10,16H,9,11H2,1H3;1H.
What are the key properties of 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride?
4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-2-ylethyl)aniline;hydrochloride is sourced from PubChem (CID 23724389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).