1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine

C14H17N3O — CID 62760835

IUPAC1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cncnc2)c1
InChIInChI=1S/C14H17N3O/c1-2-18-14-5-3-4-12(6-14)7-15-8-13-9-16-11-17-10-13/h3-6,9-11,15H,2,7-8H2,1H3
InChIKeyAWIPQALGZSMNNL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62760835) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62760835
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cncnc2)c1
InChIInChI=1S/C14H17N3O/c1-2-18-14-5-3-4-12(6-14)7-15-8-13-9-16-11-17-10-13/h3-6,9-11,15H,2,7-8H2,1H3
InChIKeyAWIPQALGZSMNNL-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096722
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
1-(3-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106394000
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62760835) is 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine is CCOc1cccc(CNCc2cncnc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is AWIPQALGZSMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-14-5-3-4-12(6-14)7-15-8-13-9-16-11-17-10-13/h3-6,9-11,15H,2,7-8H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62760835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).