N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine

C18H21NO — CID 115328156

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CNCc1ccccc1COC)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(16-8-4-3-5-9-16)12-19-13-17-10-6-7-11-18(17)14-20-2/h3-11,19H,1,12-14H2,2H3
InChIKeyWRSIIAMXUFTRSO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.64
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine

N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine (PubChem CID 115328156) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine
PubChem CID115328156
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CNCc1ccccc1COC)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(16-8-4-3-5-9-16)12-19-13-17-10-6-7-11-18(17)14-20-2/h3-11,19H,1,12-14H2,2H3
InChIKeyWRSIIAMXUFTRSO-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
CID 60977162
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine (CID 115328156) is N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine is C=C(CNCc1ccccc1COC)c1ccccc1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine?
The InChIKey is WRSIIAMXUFTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(16-8-4-3-5-9-16)12-19-13-17-10-6-7-11-18(17)14-20-2/h3-11,19H,1,12-14H2,2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 115328156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).