N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine

C15H18N2O — CID 2227150

IUPACN-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCOc1cccc(CNCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-2-18-15-5-3-4-14(10-15)12-17-11-13-6-8-16-9-7-13/h3-10,17H,2,11-12H2,1H3
InChIKeyOVXBSEPXRKWKFP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine

N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 2227150) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID2227150
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCOc1cccc(CNCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-2-18-15-5-3-4-14(10-15)12-17-11-13-6-8-16-9-7-13/h3-10,17H,2,11-12H2,1H3
InChIKeyOVXBSEPXRKWKFP-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163327937
4-[[(3-ethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881515
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
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-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine (CID 2227150) is N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine is CCOc1cccc(CNCc2ccncc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is OVXBSEPXRKWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-5-3-4-14(10-15)12-17-11-13-6-8-16-9-7-13/h3-10,17H,2,11-12H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 2227150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).