2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol

C14H21NO — CID 79128658

IUPAC2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol
SMILESCCC(C)(CN)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-13(2,10-15)14(16)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-10,15H2,1-2H3
InChIKeyJNPPGULHVMZYDQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.89
Rot. Bonds3

About 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol

2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol (PubChem CID 79128658) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol
PubChem CID79128658
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol
SMILESCCC(C)(CN)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-13(2,10-15)14(16)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-10,15H2,1-2H3
InChIKeyJNPPGULHVMZYDQ-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-amino-2-methylbutan-2-yl)-1,4-dioxepan-6-ol
CID 126981827
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
CID 79137553
2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylpentan-2-ol
CID 79134924
3-(1-amino-2-methylbutan-2-yl)piperidin-3-ol
CID 79135768
2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile
CID 79131068
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
CID 79138711
2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride
CID 139026716
2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-hydroxypropanal
CID 79125300
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 89278768
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol
CID 151156434
1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
CID 79126059
4-(1-amino-2-methylbutan-2-yl)-2-methyloxan-4-ol
CID 79123415

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol (CID 79128658) is 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol is CCC(C)(CN)C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol?
The InChIKey is JNPPGULHVMZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-13(2,10-15)14(16)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-10,15H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol?
2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol has a molecular weight of 219.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 79128658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).