N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine

C19H27N3O — CID 84746117

IUPACN-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2ccncc2)c(OC)c1
InChIInChI=1S/C19H27N3O/c1-4-22(5-2)15-17-6-7-18(19(12-17)23-3)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-15H2,1-3H3
InChIKeyRPLXLEPBTGHDJU-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.22
Rot. Bonds9

About N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine (PubChem CID 84746117) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
PubChem CID84746117
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2ccncc2)c(OC)c1
InChIInChI=1S/C19H27N3O/c1-4-22(5-2)15-17-6-7-18(19(12-17)23-3)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-15H2,1-3H3
InChIKeyRPLXLEPBTGHDJU-UHFFFAOYSA-N
XLogP3.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66535683
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66530872
N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84746048
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine (CID 84746117) is N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CNCc2ccncc2)c(OC)c1.
What is the InChIKey of N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The InChIKey is RPLXLEPBTGHDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-22(5-2)15-17-6-7-18(19(12-17)23-3)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-15H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 84746117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).