N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine

C18H23NO — CID 79032661

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
SMILESCOCc1ccc(CNCCc2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-15-5-3-4-6-18(15)11-12-19-13-16-7-9-17(10-8-16)14-20-2/h3-10,19H,11-14H2,1-2H3
InChIKeyWCLOIXNBMYFGTF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.47
Rot. Bonds7

About N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine

N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 79032661) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
PubChem CID79032661
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
SMILESCOCc1ccc(CNCCc2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-15-5-3-4-6-18(15)11-12-19-13-16-7-9-17(10-8-16)14-20-2/h3-10,19H,11-14H2,1-2H3
InChIKeyWCLOIXNBMYFGTF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-methoxy-N-[[4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809189
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807529
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine (CID 79032661) is N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine is COCc1ccc(CNCCc2ccccc2C)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is WCLOIXNBMYFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-5-3-4-6-18(15)11-12-19-13-16-7-9-17(10-8-16)14-20-2/h3-10,19H,11-14H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79032661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).