1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine

C18H19NO2 — CID 62340507

IUPAC1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC)c1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-14-16-11-6-12-17(20-2)18(16)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,19H,13-14H2,1-2H3
InChIKeyXPTHHDWUSHVIQT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine

1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine (PubChem CID 62340507) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
PubChem CID62340507
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC)c1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-14-16-11-6-12-17(20-2)18(16)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,19H,13-14H2,1-2H3
InChIKeyXPTHHDWUSHVIQT-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60888801
4-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60889745
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62340509
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine (CID 62340507) is 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine is CNCc1cccc(OC)c1OCC#Cc1ccccc1.
What is the InChIKey of 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine?
The InChIKey is XPTHHDWUSHVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-14-16-11-6-12-17(20-2)18(16)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,19H,13-14H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine?
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine has a molecular weight of 281.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62340507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).