2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine

C17H21NO — CID 2063770

IUPAC2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-14-4-3-5-16(12-14)13-18-11-10-15-6-8-17(19-2)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyDTEUMPGLISHWGR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 2063770) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID2063770
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-14-4-3-5-16(12-14)13-18-11-10-15-6-8-17(19-2)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyDTEUMPGLISHWGR-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-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
CID 17367818
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine (CID 2063770) is 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine is COc1ccc(CCNCc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is DTEUMPGLISHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-4-3-5-16(12-14)13-18-11-10-15-6-8-17(19-2)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]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 2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 2063770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).