N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine

C19H23NO2 — CID 54847985

IUPACN-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
SMILESC=C(C)COc1c(CNCc2ccccc2)cccc1OC
InChIInChI=1S/C19H23NO2/c1-15(2)14-22-19-17(10-7-11-18(19)21-3)13-20-12-16-8-5-4-6-9-16/h4-11,20H,1,12-14H2,2-3H3
InChIKeyYWAHFWCVGYEAFP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.94
Rot. Bonds8

About N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine

N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 54847985) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID54847985
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
SMILESC=C(C)COc1c(CNCc2ccccc2)cccc1OC
InChIInChI=1S/C19H23NO2/c1-15(2)14-22-19-17(10-7-11-18(19)21-3)13-20-12-16-8-5-4-6-9-16/h4-11,20H,1,12-14H2,2-3H3
InChIKeyYWAHFWCVGYEAFP-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54849115
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
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]-1-pyridin-3-ylmethanamine chloride
CID 53350927
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine (CID 54847985) is N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine is C=C(C)COc1c(CNCc2ccccc2)cccc1OC.
What is the InChIKey of N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is YWAHFWCVGYEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)14-22-19-17(10-7-11-18(19)21-3)13-20-12-16-8-5-4-6-9-16/h4-11,20H,1,12-14H2,2-3H3.
What are the key properties of N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 54847985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).