N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine

C17H19Cl2NO — CID 107307020

IUPACN-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
SMILESClc1cccc(COCCCNCc2ccccc2)c1Cl
InChIInChI=1S/C17H19Cl2NO/c18-16-9-4-8-15(17(16)19)13-21-11-5-10-20-12-14-6-2-1-3-7-14/h1-4,6-9,20H,5,10-13H2
InChIKeyOMADYBRCOQWNRO-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.69
Rot. Bonds8

About N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine

N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine (PubChem CID 107307020) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
PubChem CID107307020
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
SMILESClc1cccc(COCCCNCc2ccccc2)c1Cl
InChIInChI=1S/C17H19Cl2NO/c18-16-9-4-8-15(17(16)19)13-21-11-5-10-20-12-14-6-2-1-3-7-14/h1-4,6-9,20H,5,10-13H2
InChIKeyOMADYBRCOQWNRO-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.69
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-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63936379
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
CID 114782979
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine (CID 107307020) is N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine is Clc1cccc(COCCCNCc2ccccc2)c1Cl.
What is the InChIKey of N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine?
The InChIKey is OMADYBRCOQWNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c18-16-9-4-8-15(17(16)19)13-21-11-5-10-20-12-14-6-2-1-3-7-14/h1-4,6-9,20H,5,10-13H2.
What are the key properties of N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine?
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine is sourced from PubChem (CID 107307020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).