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

C13H19Cl2NO2 — CID 28721775

IUPACN-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-17-8-9-18-7-3-6-16-10-11-4-2-5-12(14)13(11)15/h2,4-5,16H,3,6-10H2,1H3
InChIKeyKQRANOHVBXQSMK-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.14
Rot. Bonds9

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

N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 28721775) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID28721775
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-17-8-9-18-7-3-6-16-10-11-4-2-5-12(14)13(11)15/h2,4-5,16H,3,6-10H2,1H3
InChIKeyKQRANOHVBXQSMK-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
N-[(2-chloro-3-fluorophenyl)methyl]-3-propoxypropan-1-amine
CID 112652222
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
2-[3-[(3-chloro-2-fluorophenyl)methylamino]propoxy]ethanol
CID 103992603

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 28721775) is N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is KQRANOHVBXQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-17-8-9-18-7-3-6-16-10-11-4-2-5-12(14)13(11)15/h2,4-5,16H,3,6-10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 292.21 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 28721775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).