2,6-dimethyl-3-propan-2-yl-N-propylaniline

C14H23N — CID 142447891

IUPAC2,6-dimethyl-3-propan-2-yl-N-propylaniline
SMILESCCCNc1c(C)ccc(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-6-9-15-14-11(4)7-8-13(10(2)3)12(14)5/h7-8,10,15H,6,9H2,1-5H3
InChIKeyHJBZBYFZLIGTFA-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.25
Rot. Bonds4

About 2,6-dimethyl-3-propan-2-yl-N-propylaniline

2,6-dimethyl-3-propan-2-yl-N-propylaniline (PubChem CID 142447891) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2,6-dimethyl-3-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name2,6-dimethyl-3-propan-2-yl-N-propylaniline
PubChem CID142447891
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2,6-dimethyl-3-propan-2-yl-N-propylaniline
SMILESCCCNc1c(C)ccc(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-6-9-15-14-11(4)7-8-13(10(2)3)12(14)5/h7-8,10,15H,6,9H2,1-5H3
InChIKeyHJBZBYFZLIGTFA-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
CID 63480478
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
CID 145358889
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107628768
7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63481435

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-propan-2-yl-N-propylaniline?
The IUPAC name of 2,6-dimethyl-3-propan-2-yl-N-propylaniline (CID 142447891) is 2,6-dimethyl-3-propan-2-yl-N-propylaniline.
What is the SMILES notation for 2,6-dimethyl-3-propan-2-yl-N-propylaniline?
The canonical SMILES for 2,6-dimethyl-3-propan-2-yl-N-propylaniline is CCCNc1c(C)ccc(C(C)C)c1C.
What is the InChIKey of 2,6-dimethyl-3-propan-2-yl-N-propylaniline?
The InChIKey is HJBZBYFZLIGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-9-15-14-11(4)7-8-13(10(2)3)12(14)5/h7-8,10,15H,6,9H2,1-5H3.
What are the key properties of 2,6-dimethyl-3-propan-2-yl-N-propylaniline?
2,6-dimethyl-3-propan-2-yl-N-propylaniline has a molecular weight of 205.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-propan-2-yl-N-propylaniline is sourced from PubChem (CID 142447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).