N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine

C15H23Cl2N — CID 64664799

IUPACN-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1c(Cl)cccc1Cl)CNC(C)(C)C
InChIInChI=1S/C15H23Cl2N/c1-11(10-18-15(2,3)4)8-9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3
InChIKeyPODBEUNMRGDAAF-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.95
Rot. Bonds5

About N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine

N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine (PubChem CID 64664799) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
PubChem CID64664799
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1c(Cl)cccc1Cl)CNC(C)(C)C
InChIInChI=1S/C15H23Cl2N/c1-11(10-18-15(2,3)4)8-9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3
InChIKeyPODBEUNMRGDAAF-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 114860063
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
2-(4-bromopentyl)-1,3-dichlorobenzene
CID 64509594
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine (CID 64664799) is N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine is CC(CCc1c(Cl)cccc1Cl)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine?
The InChIKey is PODBEUNMRGDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-11(10-18-15(2,3)4)8-9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine?
N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).