4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol

C18H27NO2 — CID 79123419

IUPAC4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2(CN)Cc3ccccc3C2)CCO1
InChIInChI=1S/C18H27NO2/c1-2-5-16-12-18(20,8-9-21-16)17(13-19)10-14-6-3-4-7-15(14)11-17/h3-4,6-7,16,20H,2,5,8-13,19H2,1H3
InChIKeyVUAZPEZYPSNIII-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.44
Rot. Bonds4

About 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol

4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol (PubChem CID 79123419) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
PubChem CID79123419
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2(CN)Cc3ccccc3C2)CCO1
InChIInChI=1S/C18H27NO2/c1-2-5-16-12-18(20,8-9-21-16)17(13-19)10-14-6-3-4-7-15(14)11-17/h3-4,6-7,16,20H,2,5,8-13,19H2,1H3
InChIKeyVUAZPEZYPSNIII-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
4-[1-(aminomethyl)-3-methylcyclopentyl]-2-propyloxan-4-ol
CID 79123923
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125376
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123441
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
CID 79135402
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
CID 81468062

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol?
The IUPAC name of 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol (CID 79123419) is 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol is CCCC1CC(O)(C2(CN)Cc3ccccc3C2)CCO1.
What is the InChIKey of 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol?
The InChIKey is VUAZPEZYPSNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-5-16-12-18(20,8-9-21-16)17(13-19)10-14-6-3-4-7-15(14)11-17/h3-4,6-7,16,20H,2,5,8-13,19H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol?
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol has a molecular weight of 289.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol is sourced from PubChem (CID 79123419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).