4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline

C15H25N — CID 145139465

IUPAC4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline
SMILESCNc1c(C)cc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C15H25N/c1-10(2)13-9-12(15(4,5)6)8-11(3)14(13)16-7/h8-10,16H,1-7H3
InChIKeyBTPPAGCHIXRMTM-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.46
Rot. Bonds2

About 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline

4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline (PubChem CID 145139465) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline
PubChem CID145139465
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline
SMILESCNc1c(C)cc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C15H25N/c1-10(2)13-9-12(15(4,5)6)8-11(3)14(13)16-7/h8-10,16H,1-7H3
InChIKeyBTPPAGCHIXRMTM-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline?
The IUPAC name of 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline (CID 145139465) is 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline.
What is the SMILES notation for 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline?
The canonical SMILES for 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline is CNc1c(C)cc(C(C)(C)C)cc1C(C)C.
What is the InChIKey of 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline?
The InChIKey is BTPPAGCHIXRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)13-9-12(15(4,5)6)8-11(3)14(13)16-7/h8-10,16H,1-7H3.
What are the key properties of 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline?
4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline is sourced from PubChem (CID 145139465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).