3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol

C15H23NO — CID 103786504

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-11(2)15(7-8-17)16-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-17H,7-10H2,1-2H3
InChIKeyOFCXIBQMNYTBLE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.15
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol (PubChem CID 103786504) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
PubChem CID103786504
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-11(2)15(7-8-17)16-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-17H,7-10H2,1-2H3
InChIKeyOFCXIBQMNYTBLE-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
CID 106348762
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
N-(1-cyclobutylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115896468

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol (CID 103786504) is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is OFCXIBQMNYTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15(7-8-17)16-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-17H,7-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol?
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.15, 5 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-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 103786504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).