4-[2,6-di(propan-2-yl)phenyl]butan-2-amine

C16H27N — CID 174789364

IUPAC4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H27N/c1-11(2)14-7-6-8-15(12(3)4)16(14)10-9-13(5)17/h6-8,11-13H,9-10,17H2,1-5H3
InChIKeyXTSXUUOGFJGVKD-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.21
Rot. Bonds5

About 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine

4-[2,6-di(propan-2-yl)phenyl]butan-2-amine (PubChem CID 174789364) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
PubChem CID174789364
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H27N/c1-11(2)14-7-6-8-15(12(3)4)16(14)10-9-13(5)17/h6-8,11-13H,9-10,17H2,1-5H3
InChIKeyXTSXUUOGFJGVKD-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
(2S)-4-phenylbutan-2-amine
CID 6994564
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
CID 71264347
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
1-ethyl-2-hexyl-3-propan-2-ylbenzene
CID 141013898
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine (CID 174789364) is 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine is CC(N)CCc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine?
The InChIKey is XTSXUUOGFJGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)14-7-6-8-15(12(3)4)16(14)10-9-13(5)17/h6-8,11-13H,9-10,17H2,1-5H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine?
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]butan-2-amine is sourced from PubChem (CID 174789364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).