3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

C13H18ClNO — CID 117352189

IUPAC3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(N)c1cc2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H18ClNO/c1-13(2,15)10-7-8-5-3-4-6-9(8)11(14)12(10)16/h7,16H,3-6,15H2,1-2H3
InChIKeyNZHZSSSUYSBKEH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds1

About 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117352189) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117352189
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(N)c1cc2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H18ClNO/c1-13(2,15)10-7-8-5-3-4-6-9(8)11(14)12(10)16/h7,16H,3-6,15H2,1-2H3
InChIKeyNZHZSSSUYSBKEH-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-methylbutanoic acid
CID 117478182
2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117299692
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
CID 123134100
CID 123134100
4-(2-amino-2-methylpropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423448
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117429650
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296662
2-(4-aminobutyl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423324
3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117390115
3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117445259

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117352189) is 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(N)c1cc2c(c(Cl)c1O)CCCC2.
What is the InChIKey of 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NZHZSSSUYSBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2,15)10-7-8-5-3-4-6-9(8)11(14)12(10)16/h7,16H,3-6,15H2,1-2H3.
What are the key properties of 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 239.75 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117352189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).