N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine

C18H19NO2 — CID 94074149

IUPACN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-12-19-13-16-10-7-11-17(20-2)18(16)21-14-15-8-5-4-6-9-15/h1,4-11,19H,12-14H2,2H3
InChIKeyARZZLQHWSXBHDX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds7

About N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine (PubChem CID 94074149) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
PubChem CID94074149
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-12-19-13-16-10-7-11-17(20-2)18(16)21-14-15-8-5-4-6-9-15/h1,4-11,19H,12-14H2,2H3
InChIKeyARZZLQHWSXBHDX-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 3162096
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine (CID 94074149) is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine is C#CCNCc1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine?
The InChIKey is ARZZLQHWSXBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-12-19-13-16-10-7-11-17(20-2)18(16)21-14-15-8-5-4-6-9-15/h1,4-11,19H,12-14H2,2H3.
What are the key properties of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine?
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 94074149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).