2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine

C23H23Cl2NO — CID 17209881

IUPAC2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H23Cl2NO/c1-17-5-7-18(8-6-17)16-27-22-4-2-3-19(13-22)15-26-12-11-20-9-10-21(24)14-23(20)25/h2-10,13-14,26H,11-12,15-16H2,1H3
InChIKeyUCFSTZZUQPLYPD-UHFFFAOYSA-N
MW400.35 g/mol
LogP6.21
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 17209881) has the molecular formula C23H23Cl2NO and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID17209881
Molecular FormulaC23H23Cl2NO
Molecular Weight400.35 g/mol
Exact Mass399.12
IUPAC Name2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H23Cl2NO/c1-17-5-7-18(8-6-17)16-27-22-4-2-3-19(13-22)15-26-12-11-20-9-10-21(24)14-23(20)25/h2-10,13-14,26H,11-12,15-16H2,1H3
InChIKeyUCFSTZZUQPLYPD-UHFFFAOYSA-N
XLogP6.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 56.21
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

2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209884
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66536256

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 17209881) is 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is Cc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is UCFSTZZUQPLYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO/c1-17-5-7-18(8-6-17)16-27-22-4-2-3-19(13-22)15-26-12-11-20-9-10-21(24)14-23(20)25/h2-10,13-14,26H,11-12,15-16H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 400.35 g/mol, XLogP of 6.21, 8 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-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 17209881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).