2-tert-butyl-N-propylaniline

C13H21N — CID 39238556

IUPAC2-tert-butyl-N-propylaniline
SMILESCCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h6-9,14H,5,10H2,1-4H3
InChIKeyZKJYFKHCKHACPP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.81
Rot. Bonds3

About 2-tert-butyl-N-propylaniline

2-tert-butyl-N-propylaniline (PubChem CID 39238556) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-tert-butyl-N-propylaniline.

Molecular Properties

Compound Name2-tert-butyl-N-propylaniline
PubChem CID39238556
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-tert-butyl-N-propylaniline
SMILESCCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h6-9,14H,5,10H2,1-4H3
InChIKeyZKJYFKHCKHACPP-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-(2-propoxyethyl)aniline
CID 106452063
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
2-tert-butyl-N-pentan-3-ylaniline
CID 43682945
N-[2-(propylamino)phenyl]hydroxylamine
CID 175227965
6-(2-tert-butylanilino)-2,2-dimethylhexanenitrile
CID 106709354
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062527
N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
CID 175259638
(2-tert-butylphenyl)hydrazine;hydrazine
CID 158362001
2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
CID 43229696

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propylaniline?
The IUPAC name of 2-tert-butyl-N-propylaniline (CID 39238556) is 2-tert-butyl-N-propylaniline.
What is the SMILES notation for 2-tert-butyl-N-propylaniline?
The canonical SMILES for 2-tert-butyl-N-propylaniline is CCCNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-propylaniline?
The InChIKey is ZKJYFKHCKHACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h6-9,14H,5,10H2,1-4H3.
What are the key properties of 2-tert-butyl-N-propylaniline?
2-tert-butyl-N-propylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propylaniline is sourced from PubChem (CID 39238556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).