N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine

C16H23Cl2N — CID 102641300

IUPACN-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-6-16(5,11-19-15(2,3)4)10-12-7-8-13(17)9-14(12)18/h6-9,19H,1,10-11H2,2-5H3
InChIKeyBROYRIDUMJOVHI-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.12
Rot. Bonds5

About N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine

N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine (PubChem CID 102641300) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
PubChem CID102641300
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-6-16(5,11-19-15(2,3)4)10-12-7-8-13(17)9-14(12)18/h6-9,19H,1,10-11H2,2-5H3
InChIKeyBROYRIDUMJOVHI-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
N-tert-butyl-2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 107309854
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102859330
N-tert-butyl-2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641353
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641413
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,4-dichlorobenzene
CID 102642341
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
2,4-dichloro-1-(2,2-dimethylheptyl)benzene
CID 134535823
N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine
CID 102641309
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
2-[(3-chlorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640481

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine (CID 102641300) is N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine is C=CC(C)(CNC(C)(C)C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine?
The InChIKey is BROYRIDUMJOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-6-16(5,11-19-15(2,3)4)10-12-7-8-13(17)9-14(12)18/h6-9,19H,1,10-11H2,2-5H3.
What are the key properties of N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine?
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.12, 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-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102641300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).