N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine

C17H21NO — CID 16753278

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNCCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-14-3-5-15(6-4-14)11-12-18-13-16-7-9-17(19-2)10-8-16/h3-10,18H,11-13H2,1-2H3
InChIKeyWFHOMBWXLQYHBX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine (PubChem CID 16753278) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
PubChem CID16753278
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNCCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-14-3-5-15(6-4-14)11-12-18-13-16-7-9-17(19-2)10-8-16/h3-10,18H,11-13H2,1-2H3
InChIKeyWFHOMBWXLQYHBX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
2-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054290
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine (CID 16753278) is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine is COc1ccc(CNCCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine?
The InChIKey is WFHOMBWXLQYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-3-5-15(6-4-14)11-12-18-13-16-7-9-17(19-2)10-8-16/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine?
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 16753278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).