(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol

C13H16N2O — CID 93083144

IUPAC(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-10(9-16)14-8-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10,14,16H,8-9H2,1H3/t10-/m1/s1
InChIKeyNTQWFIHLSTXLEB-SNVBAGLBSA-N
MW216.28 g/mol
LogP1.71
Rot. Bonds4

About (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol

(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol (PubChem CID 93083144) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
PubChem CID93083144
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-10(9-16)14-8-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10,14,16H,8-9H2,1H3/t10-/m1/s1
InChIKeyNTQWFIHLSTXLEB-SNVBAGLBSA-N
XLogP1.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048
BU 224
CID 2457
2-Methyl-4-(piperazin-1-yl)quinoline
CID 702318
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-quinolinylmethyl)amino)-
CID 454388
N-heptyl-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
CID 3087102
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
Ethanol, 2-(9-acridinylamino)-
CID 145758
1-Propanol, 3-(9-acridinylamino)-
CID 150655
2-{4-[2-(Trifluoromethyl)quinolin-4-yl]piperazino}ethan-1-ol
CID 2823494
2-((1,2,3,4-Tetrahydroacridin-9-yl)amino)ethanol
CID 661266
N-Butyl-1,2,3,4-tetrahydro-9-acridinamine
CID 9423
4-Quinolinamine, N-(1-methylethyl)-2-phenyl-
CID 453043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol?
The IUPAC name of (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol (CID 93083144) is (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol is C[C@H](CO)NCc1ccc2ccccc2n1.
What is the InChIKey of (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol?
The InChIKey is NTQWFIHLSTXLEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(9-16)14-8-12-7-6-11-4-2-3-5-13(11)15-12/h2-7,10,14,16H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol?
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(quinolin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 93083144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).