N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine

C14H21Cl2NO2 — CID 79548546

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1ccc(Cl)c(Cl)c1)OCC
InChIInChI=1S/C14H21Cl2NO2/c1-4-18-14(19-5-2)9-17-10(3)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyWOIULZJGVXTULS-UHFFFAOYSA-N
MW306.23 g/mol
LogP4.04
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine

N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine (PubChem CID 79548546) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
PubChem CID79548546
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1ccc(Cl)c(Cl)c1)OCC
InChIInChI=1S/C14H21Cl2NO2/c1-4-18-14(19-5-2)9-17-10(3)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyWOIULZJGVXTULS-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 54.04
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

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
2,2-diethoxy-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 79548559
2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine (CID 79548546) is N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine is CCOC(CNC(C)c1ccc(Cl)c(Cl)c1)OCC.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine?
The InChIKey is WOIULZJGVXTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-4-18-14(19-5-2)9-17-10(3)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine?
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine has a molecular weight of 306.23 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 79548546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).