N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine

C17H19Cl2NO — CID 63428118

IUPACN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C17H19Cl2NO/c1-3-8-20-11-13-9-12(4-7-17(13)21-2)15-6-5-14(18)10-16(15)19/h4-7,9-10,20H,3,8,11H2,1-2H3
InChIKeyACDRJHYQJDJISU-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.17
Rot. Bonds6

About N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine

N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine (PubChem CID 63428118) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
PubChem CID63428118
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C17H19Cl2NO/c1-3-8-20-11-13-9-12(4-7-17(13)21-2)15-6-5-14(18)10-16(15)19/h4-7,9-10,20H,3,8,11H2,1-2H3
InChIKeyACDRJHYQJDJISU-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.17
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-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[2-methoxy-5-(5-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 65099654
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66529661
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine (CID 63428118) is N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine is CCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is ACDRJHYQJDJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-8-20-11-13-9-12(4-7-17(13)21-2)15-6-5-14(18)10-16(15)19/h4-7,9-10,20H,3,8,11H2,1-2H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine?
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63428118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).