N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine

C17H22N2O — CID 28614976

IUPACN-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCCCOc1ccc(CNCCc2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-13-20-17-8-6-15(7-9-17)14-18-12-10-16-5-3-4-11-19-16/h3-9,11,18H,2,10,12-14H2,1H3
InChIKeyNBYAONJQXKYGHY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds8

About N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 28614976) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID28614976
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCCCOc1ccc(CNCCc2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-13-20-17-8-6-15(7-9-17)14-18-12-10-16-5-3-4-11-19-16/h3-9,11,18H,2,10,12-14H2,1H3
InChIKeyNBYAONJQXKYGHY-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.20
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-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
1-[2-(4-butoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193974
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-ethyl-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-2-amine
CID 115495045
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine (CID 28614976) is N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine is CCCOc1ccc(CNCCc2ccccn2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is NBYAONJQXKYGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-13-20-17-8-6-15(7-9-17)14-18-12-10-16-5-3-4-11-19-16/h3-9,11,18H,2,10,12-14H2,1H3.
What are the key properties of N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 28614976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).