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

C13H19Cl2NO2 — CID 79493376

IUPACN-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(OC)OC
InChIInChI=1S/C13H19Cl2NO2/c1-4-8-16-12(13(17-2)18-3)9-6-5-7-10(14)11(9)15/h5-7,12-13,16H,4,8H2,1-3H3
InChIKeyVLZSSIBJCSWNPB-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.65
Rot. Bonds7

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

N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 79493376) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID79493376
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC NameN-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(OC)OC
InChIInChI=1S/C13H19Cl2NO2/c1-4-8-16-12(13(17-2)18-3)9-6-5-7-10(14)11(9)15/h5-7,12-13,16H,4,8H2,1-3H3
InChIKeyVLZSSIBJCSWNPB-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616818
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
[1-(2,3-dichlorophenyl)-2-methoxybutyl]hydrazine
CID 105270727
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine (CID 79493376) is N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C(OC)OC.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is VLZSSIBJCSWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-4-8-16-12(13(17-2)18-3)9-6-5-7-10(14)11(9)15/h5-7,12-13,16H,4,8H2,1-3H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 292.21 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 79493376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).