1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine

C14H21Cl2N — CID 115851288

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)(C)CC
InChIInChI=1S/C14H21Cl2N/c1-5-14(3,4)13(17-6-2)10-8-7-9-11(15)12(10)16/h7-9,13,17H,5-6H2,1-4H3
InChIKeyHDVIDHQMWBEHLD-UHFFFAOYSA-N
MW274.23 g/mol
LogP5.08
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 115851288) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID115851288
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)(C)CC
InChIInChI=1S/C14H21Cl2N/c1-5-14(3,4)13(17-6-2)10-8-7-9-11(15)12(10)16/h7-9,13,17H,5-6H2,1-4H3
InChIKeyHDVIDHQMWBEHLD-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 115851288) is 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(c1cccc(Cl)c1Cl)C(C)(C)CC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is HDVIDHQMWBEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-5-14(3,4)13(17-6-2)10-8-7-9-11(15)12(10)16/h7-9,13,17H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 115851288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).