2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C19H25NO — CID 43220553

IUPAC2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-14-11-16(3)18(12-15(14)2)13-20-10-9-17-5-7-19(21-4)8-6-17/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKeyZZFPJKSDRNZZNM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 43220553) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID43220553
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-14-11-16(3)18(12-15(14)2)13-20-10-9-17-5-7-19(21-4)8-6-17/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKeyZZFPJKSDRNZZNM-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.95
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-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 18525142
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
2-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 43220553) is 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is COc1ccc(CCNCc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is ZZFPJKSDRNZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-11-16(3)18(12-15(14)2)13-20-10-9-17-5-7-19(21-4)8-6-17/h5-8,11-12,20H,9-10,13H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43220553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).