2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine

C14H17N3O — CID 62758750

IUPAC2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCc2cncnc2)cc1
InChIInChI=1S/C14H17N3O/c1-18-14-4-2-12(3-5-14)6-7-15-8-13-9-16-11-17-10-13/h2-5,9-11,15H,6-8H2,1H3
InChIKeyFJXUZQYXHWMPPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine

2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 62758750) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID62758750
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCc2cncnc2)cc1
InChIInChI=1S/C14H17N3O/c1-18-14-4-2-12(3-5-14)6-7-15-8-13-9-16-11-17-10-13/h2-5,9-11,15H,6-8H2,1H3
InChIKeyFJXUZQYXHWMPPN-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine (CID 62758750) is 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine is COc1ccc(CCNCc2cncnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is FJXUZQYXHWMPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-14-4-2-12(3-5-14)6-7-15-8-13-9-16-11-17-10-13/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 62758750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).