4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol

C12H18N2O — CID 105459379

IUPAC4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC(C)NC1CCNc2cc(O)ccc21
InChIInChI=1S/C12H18N2O/c1-8(2)14-11-5-6-13-12-7-9(15)3-4-10(11)12/h3-4,7-8,11,13-15H,5-6H2,1-2H3
InChIKeyVKPYQPLFQYFXQO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds2

About 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol

4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol (PubChem CID 105459379) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol
PubChem CID105459379
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC(C)NC1CCNc2cc(O)ccc21
InChIInChI=1S/C12H18N2O/c1-8(2)14-11-5-6-13-12-7-9(15)3-4-10(11)12/h3-4,7-8,11,13-15H,5-6H2,1-2H3
InChIKeyVKPYQPLFQYFXQO-UHFFFAOYSA-N
XLogP2.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105472985
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105456822
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CID 70161946
4-(dimethylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105446267
2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-ol
CID 83816771
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
CID 84717188
(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
CID 118989908
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
CID 96583640
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The IUPAC name of 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol (CID 105459379) is 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol.
What is the SMILES notation for 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The canonical SMILES for 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol is CC(C)NC1CCNc2cc(O)ccc21.
What is the InChIKey of 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The InChIKey is VKPYQPLFQYFXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)14-11-5-6-13-12-7-9(15)3-4-10(11)12/h3-4,7-8,11,13-15H,5-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol has a molecular weight of 206.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol is sourced from PubChem (CID 105459379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).