2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine

C19H26N2O2 — CID 122224079

IUPAC2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine
SMILESCCC(OC(c1ccncc1)N(C)CCOC)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-18(16-8-6-5-7-9-16)23-19(21(2)14-15-22-3)17-10-12-20-13-11-17/h5-13,18-19H,4,14-15H2,1-3H3
InChIKeyYSRZCYCFDCIIHV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.83
Rot. Bonds9

About 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine

2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine (PubChem CID 122224079) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine
PubChem CID122224079
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine
SMILESCCC(OC(c1ccncc1)N(C)CCOC)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-18(16-8-6-5-7-9-16)23-19(21(2)14-15-22-3)17-10-12-20-13-11-17/h5-13,18-19H,4,14-15H2,1-3H3
InChIKeyYSRZCYCFDCIIHV-UHFFFAOYSA-N
XLogP3.83
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[butan-2-yloxy(pyridin-4-yl)methyl]-2-methoxy-N-methylethanamine
CID 122224076
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
3-methoxypropyl-[(S)-phenyl(pyridin-4-yl)methyl]azanium
CID 7016146
3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-4-ylbutane-1,2-diamine
CID 65482923
N-(2-methoxyethyl)-N-methyl-1-phenoxybutan-2-amine
CID 143240290
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
1-(1-phenylpropoxy)ethanethiol
CID 126486623
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine (CID 122224079) is 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine is CCC(OC(c1ccncc1)N(C)CCOC)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine?
The InChIKey is YSRZCYCFDCIIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-18(16-8-6-5-7-9-16)23-19(21(2)14-15-22-3)17-10-12-20-13-11-17/h5-13,18-19H,4,14-15H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine?
2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine has a molecular weight of 314.43 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine is sourced from PubChem (CID 122224079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).