2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine

C13H19Cl2NO — CID 55076972

IUPAC2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2NO/c1-4-16-8-13(9(2)3)17-10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZHVYSGWIIPIGAH-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.01
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine

2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine (PubChem CID 55076972) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
PubChem CID55076972
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2NO/c1-4-16-8-13(9(2)3)17-10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZHVYSGWIIPIGAH-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
CID 14773496
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine (CID 55076972) is 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine is CCNCC(Oc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is ZHVYSGWIIPIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-4-16-8-13(9(2)3)17-10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine?
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 55076972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).