2-(4-chlorophenyl)-N,N-dimethoxyethanamine

C10H14ClNO2 — CID 142794565

IUPAC2-(4-chlorophenyl)-N,N-dimethoxyethanamine
SMILESCON(CCc1ccc(Cl)cc1)OC
InChIInChI=1S/C10H14ClNO2/c1-13-12(14-2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRBGDLVLVBWYHAJ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-chlorophenyl)-N,N-dimethoxyethanamine

2-(4-chlorophenyl)-N,N-dimethoxyethanamine (PubChem CID 142794565) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-dimethoxyethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-dimethoxyethanamine
PubChem CID142794565
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(4-chlorophenyl)-N,N-dimethoxyethanamine
SMILESCON(CCc1ccc(Cl)cc1)OC
InChIInChI=1S/C10H14ClNO2/c1-13-12(14-2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRBGDLVLVBWYHAJ-UHFFFAOYSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
3-[2-(4-chlorophenyl)ethyl-methylamino]propanenitrile
CID 94259030
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-dimethoxyethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N,N-dimethoxyethanamine (CID 142794565) is 2-(4-chlorophenyl)-N,N-dimethoxyethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-dimethoxyethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-dimethoxyethanamine is CON(CCc1ccc(Cl)cc1)OC.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-dimethoxyethanamine?
The InChIKey is RBGDLVLVBWYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-12(14-2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-dimethoxyethanamine?
2-(4-chlorophenyl)-N,N-dimethoxyethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-dimethoxyethanamine is sourced from PubChem (CID 142794565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).