N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine

C17H19Cl2NO — CID 107305709

IUPACN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-2-10-20-11-13-6-8-15(9-7-13)21-12-14-4-3-5-16(18)17(14)19/h3-9,20H,2,10-12H2,1H3
InChIKeyXADBFVQEIQVCNU-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.07
Rot. Bonds7

About N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine

N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 107305709) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID107305709
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-2-10-20-11-13-6-8-15(9-7-13)21-12-14-4-3-5-16(18)17(14)19/h3-9,20H,2,10-12H2,1H3
InChIKeyXADBFVQEIQVCNU-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.07
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-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292552
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 107305709) is N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is XADBFVQEIQVCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-2-10-20-11-13-6-8-15(9-7-13)21-12-14-4-3-5-16(18)17(14)19/h3-9,20H,2,10-12H2,1H3.
What are the key properties of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107305709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).