[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol

C15H23NO2 — CID 79374790

IUPAC[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCCC(C)NC1(CO)CCc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2/c1-4-11(2)16-15(10-17)8-7-12-5-6-13(18-3)9-14(12)15/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyWYAKBKWIQGOWTN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds5

About [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol

[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (PubChem CID 79374790) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
PubChem CID79374790
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCCC(C)NC1(CO)CCc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2/c1-4-11(2)16-15(10-17)8-7-12-5-6-13(18-3)9-14(12)15/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyWYAKBKWIQGOWTN-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372156
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
CID 83177752
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (CID 79374790) is [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is CCC(C)NC1(CO)CCc2ccc(OC)cc21.
What is the InChIKey of [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The InChIKey is WYAKBKWIQGOWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-11(2)16-15(10-17)8-7-12-5-6-13(18-3)9-14(12)15/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3.
What are the key properties of [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 79374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).