N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline

C28H35N — CID 22630576

IUPACN,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C28H35N/c1-20-9-14-26(19-21(20)2)29(24-15-10-22(11-16-24)27(3,4)5)25-17-12-23(13-18-25)28(6,7)8/h9-19H,1-8H3
InChIKeyBSOJRVVDZMQVEI-UHFFFAOYSA-N
MW385.60 g/mol
LogP8.37
Rot. Bonds3

About N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline

N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline (PubChem CID 22630576) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
PubChem CID22630576
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C28H35N/c1-20-9-14-26(19-21(20)2)29(24-15-10-22(11-16-24)27(3,4)5)25-17-12-23(13-18-25)28(6,7)8/h9-19H,1-8H3
InChIKeyBSOJRVVDZMQVEI-UHFFFAOYSA-N
XLogP8.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline (CID 22630576) is N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline?
The InChIKey is BSOJRVVDZMQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-20-9-14-26(19-21(20)2)29(24-15-10-22(11-16-24)27(3,4)5)25-17-12-23(13-18-25)28(6,7)8/h9-19H,1-8H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline?
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline has a molecular weight of 385.60 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline is sourced from PubChem (CID 22630576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).