2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine

C16H20N2O — CID 63264861

IUPAC2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCOc1ccc(CCNCCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)8-11-17-12-9-15-3-2-10-18-13-15/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyHXQBRHSMMVATHH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.46
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine

2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 63264861) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID63264861
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCOc1ccc(CCNCCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)8-11-17-12-9-15-3-2-10-18-13-15/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyHXQBRHSMMVATHH-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 63264861) is 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine is COc1ccc(CCNCCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is HXQBRHSMMVATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)8-11-17-12-9-15-3-2-10-18-13-15/h2-7,10,13,17H,8-9,11-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 63264861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).