1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol

C12H19NO — CID 149251496

IUPAC1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC(O)CN1CCCC2CC=CC=C21
InChIInChI=1S/C12H19NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,7,10-11,14H,4-6,8-9H2,1H3
InChIKeyMBLRLJPUCRJXRN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.92
Rot. Bonds2

About 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol

1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol (PubChem CID 149251496) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol
PubChem CID149251496
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC(O)CN1CCCC2CC=CC=C21
InChIInChI=1S/C12H19NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,7,10-11,14H,4-6,8-9H2,1H3
InChIKeyMBLRLJPUCRJXRN-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol?
The IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol (CID 149251496) is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol is CC(O)CN1CCCC2CC=CC=C21.
What is the InChIKey of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol?
The InChIKey is MBLRLJPUCRJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,7,10-11,14H,4-6,8-9H2,1H3.
What are the key properties of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol?
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol is sourced from PubChem (CID 149251496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).