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

C16H24N2O — CID 60729065

IUPAC1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNC1CCc2ccccc21)CN1CCCC1
InChIInChI=1S/C16H24N2O/c19-14(12-18-9-3-4-10-18)11-17-16-8-7-13-5-1-2-6-15(13)16/h1-2,5-6,14,16-17,19H,3-4,7-12H2
InChIKeyDOAFYFWVTPFYDB-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.72
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729065) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729065
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNC1CCc2ccccc21)CN1CCCC1
InChIInChI=1S/C16H24N2O/c19-14(12-18-9-3-4-10-18)11-17-16-8-7-13-5-1-2-6-15(13)16/h1-2,5-6,14,16-17,19H,3-4,7-12H2
InChIKeyDOAFYFWVTPFYDB-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 62994581
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61009603
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60729065) is 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is OC(CNC1CCc2ccccc21)CN1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is DOAFYFWVTPFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-14(12-18-9-3-4-10-18)11-17-16-8-7-13-5-1-2-6-15(13)16/h1-2,5-6,14,16-17,19H,3-4,7-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).