N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine

C16H25Cl2N — CID 63510234

IUPACN-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2N/c1-6-16(7-2,11-19-15(3,4)5)12-8-9-13(17)14(18)10-12/h8-10,19H,6-7,11H2,1-5H3
InChIKeyODGLGMVFCDOSCG-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.44
Rot. Bonds5

About N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine

N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine (PubChem CID 63510234) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
PubChem CID63510234
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC NameN-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2N/c1-6-16(7-2,11-19-15(3,4)5)12-8-9-13(17)14(18)10-12/h8-10,19H,6-7,11H2,1-5H3
InChIKeyODGLGMVFCDOSCG-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
CID 120989046
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
CID 61056180
6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
CID 123305021
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
N-[2-(3,4-dichlorophenyl)propan-2-yl]dodecan-1-amine;hydrochloride
CID 173462938
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine (CID 63510234) is N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine is CCC(CC)(CNC(C)(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine?
The InChIKey is ODGLGMVFCDOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-6-16(7-2,11-19-15(3,4)5)12-8-9-13(17)14(18)10-12/h8-10,19H,6-7,11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine?
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 63510234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).