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

C16H17Cl2NO — CID 2162369

IUPAC2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-13(16)11-19-9-8-12-6-7-14(17)10-15(12)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyFRPRWTVXNNBDEH-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds6

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

2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 2162369) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID2162369
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-13(16)11-19-9-8-12-6-7-14(17)10-15(12)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyFRPRWTVXNNBDEH-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.33
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

1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292530
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209623
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207224
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 2162369) is 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is FRPRWTVXNNBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-13(16)11-19-9-8-12-6-7-14(17)10-15(12)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2162369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).