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

C14H21NO — CID 111434880

IUPAC2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-14(2,10-16)15-13-8-11-6-4-5-7-12(11)9-13/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyVKUFREROCVERBB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol (PubChem CID 111434880) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol
PubChem CID111434880
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-14(2,10-16)15-13-8-11-6-4-5-7-12(11)9-13/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyVKUFREROCVERBB-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-(benzylamino)butan-1-ol
CID 927306
3-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino}-2,2-dimethylpropan-1-ol
CID 23723651
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
N-propyl-2,3-dihydro-1H-inden-2-amine hydrochloride
CID 17221236
(2S)-2-(benzylamino)butan-1-ol
CID 927305
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
CID 2811036
2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
N-ethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
CID 17221238
1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-ol
CID 13010316
(2R)-2-(9H-fluoren-9-ylamino)butan-1-ol
CID 28723501
N-butyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 45262788
N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 45262790

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol (CID 111434880) is 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol is CCC(C)(CO)NC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol?
The InChIKey is VKUFREROCVERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(2,10-16)15-13-8-11-6-4-5-7-12(11)9-13/h4-7,13,15-16H,3,8-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol?
2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 111434880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).