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

C14H21NO — CID 115722752

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCc2ccccc21
InChIInChI=1S/C14H21NO/c1-10(9-16)11(2)15-14-8-7-12-5-3-4-6-13(12)14/h3-6,10-11,14-16H,7-9H2,1-2H3
InChIKeyDRMBDNYTTDZMBO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol (PubChem CID 115722752) 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-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
PubChem CID115722752
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCc2ccccc21
InChIInChI=1S/C14H21NO/c1-10(9-16)11(2)15-14-8-7-12-5-3-4-6-13(12)14/h3-6,10-11,14-16H,7-9H2,1-2H3
InChIKeyDRMBDNYTTDZMBO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol (CID 115722752) is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol is CC(CO)C(C)NC1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol?
The InChIKey is DRMBDNYTTDZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(9-16)11(2)15-14-8-7-12-5-3-4-6-13(12)14/h3-6,10-11,14-16H,7-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol?
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.28, 4 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-1-ol is sourced from PubChem (CID 115722752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).