N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride

C17H22ClNO2 — CID 17293467

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1ccc(CNCCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-19-16-9-8-15(17(12-16)20-2)13-18-11-10-14-6-4-3-5-7-14;/h3-9,12,18H,10-11,13H2,1-2H3;1H
InChIKeyTVIMMVJEPONYBX-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.46
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride (PubChem CID 17293467) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
PubChem CID17293467
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1ccc(CNCCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-19-16-9-8-15(17(12-16)20-2)13-18-11-10-14-6-4-3-5-7-14;/h3-9,12,18H,10-11,13H2,1-2H3;1H
InChIKeyTVIMMVJEPONYBX-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride (CID 17293467) is N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride is COc1ccc(CNCCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is TVIMMVJEPONYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-19-16-9-8-15(17(12-16)20-2)13-18-11-10-14-6-4-3-5-7-14;/h3-9,12,18H,10-11,13H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 17293467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).