3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol

C14H21NO — CID 65333179

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
SMILESCC(NC1CCc2ccccc21)C(C)(C)O
InChIInChI=1S/C14H21NO/c1-10(14(2,3)16)15-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3
InChIKeyHVZFTGHLZRNJHK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol (PubChem CID 65333179) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
PubChem CID65333179
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
SMILESCC(NC1CCc2ccccc21)C(C)(C)O
InChIInChI=1S/C14H21NO/c1-10(14(2,3)16)15-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3
InChIKeyHVZFTGHLZRNJHK-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43208516

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol (CID 65333179) is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol is CC(NC1CCc2ccccc21)C(C)(C)O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol?
The InChIKey is HVZFTGHLZRNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(14(2,3)16)15-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol?
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65333179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).