N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine

C17H21NO — CID 28663714

IUPACN-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-3-19-17-10-5-4-9-16(17)13-18-12-15-8-6-7-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3
InChIKeyRYOOCPLKFPXQJZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.68
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine

N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 28663714) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID28663714
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-3-19-17-10-5-4-9-16(17)13-18-12-15-8-6-7-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3
InChIKeyRYOOCPLKFPXQJZ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
CID 94074211
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43426257
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 54803840
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine (CID 28663714) is N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine is CCOc1ccccc1CNCc1cccc(C)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is RYOOCPLKFPXQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-19-17-10-5-4-9-16(17)13-18-12-15-8-6-7-14(2)11-15/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 28663714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).