2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline

C25H36ClN — CID 10548169

IUPAC2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline
SMILESCC(C)(C)c1ccc(NC(c2ccc(Cl)cc2)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C25H36ClN/c1-23(2,3)18-12-15-21(20(16-18)24(4,5)6)27-22(25(7,8)9)17-10-13-19(26)14-11-17/h10-16,22,27H,1-9H3
InChIKeyKBZXXSPDWTXRHA-UHFFFAOYSA-N
MW386.02 g/mol
LogP8.13
Rot. Bonds3

About 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline

2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline (PubChem CID 10548169) has the molecular formula C25H36ClN and a molecular weight of 386.02 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline.

Molecular Properties

Compound Name2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline
PubChem CID10548169
Molecular FormulaC25H36ClN
Molecular Weight386.02 g/mol
Exact Mass385.25
IUPAC Name2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline
SMILESCC(C)(C)c1ccc(NC(c2ccc(Cl)cc2)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C25H36ClN/c1-23(2,3)18-12-15-21(20(16-18)24(4,5)6)27-22(25(7,8)9)17-10-13-19(26)14-11-17/h10-16,22,27H,1-9H3
InChIKeyKBZXXSPDWTXRHA-UHFFFAOYSA-N
XLogP8.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.02
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis[1-(4-chlorophenyl)-2,2-dimethylpropyl]hydrazine
CID 13095453
N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
1-tert-butyl-4-[chloro-(4-chlorophenyl)methyl]benzene
CID 63429016
4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
CID 170723804
N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
CID 70949628
2,4-ditert-butyl-1-(dichloromethyl)benzene
CID 164523790
4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene
CID 138716717
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
CID 12969771

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline?
The IUPAC name of 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline (CID 10548169) is 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline.
What is the SMILES notation for 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline?
The canonical SMILES for 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline is CC(C)(C)c1ccc(NC(c2ccc(Cl)cc2)C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline?
The InChIKey is KBZXXSPDWTXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN/c1-23(2,3)18-12-15-21(20(16-18)24(4,5)6)27-22(25(7,8)9)17-10-13-19(26)14-11-17/h10-16,22,27H,1-9H3.
What are the key properties of 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline?
2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline has a molecular weight of 386.02 g/mol, XLogP of 8.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline is sourced from PubChem (CID 10548169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).