1-(2-quinolin-8-ylethylamino)propan-2-ol

C14H18N2O — CID 81428765

IUPAC1-(2-quinolin-8-ylethylamino)propan-2-ol
SMILESCC(O)CNCCc1cccc2cccnc12
InChIInChI=1S/C14H18N2O/c1-11(17)10-15-9-7-13-5-2-4-12-6-3-8-16-14(12)13/h2-6,8,11,15,17H,7,9-10H2,1H3
InChIKeyYKKRMYNPJIHYFP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds5

About 1-(2-quinolin-8-ylethylamino)propan-2-ol

1-(2-quinolin-8-ylethylamino)propan-2-ol (PubChem CID 81428765) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-quinolin-8-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-quinolin-8-ylethylamino)propan-2-ol
PubChem CID81428765
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2-quinolin-8-ylethylamino)propan-2-ol
SMILESCC(O)CNCCc1cccc2cccnc12
InChIInChI=1S/C14H18N2O/c1-11(17)10-15-9-7-13-5-2-4-12-6-3-8-16-14(12)13/h2-6,8,11,15,17H,7,9-10H2,1H3
InChIKeyYKKRMYNPJIHYFP-UHFFFAOYSA-N
XLogP1.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81426934
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-quinolin-8-ylethylamino)propan-2-ol (CID 81428765) is 1-(2-quinolin-8-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-quinolin-8-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-quinolin-8-ylethylamino)propan-2-ol is CC(O)CNCCc1cccc2cccnc12.
What is the InChIKey of 1-(2-quinolin-8-ylethylamino)propan-2-ol?
The InChIKey is YKKRMYNPJIHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(17)10-15-9-7-13-5-2-4-12-6-3-8-16-14(12)13/h2-6,8,11,15,17H,7,9-10H2,1H3.
What are the key properties of 1-(2-quinolin-8-ylethylamino)propan-2-ol?
1-(2-quinolin-8-ylethylamino)propan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-8-ylethylamino)propan-2-ol is sourced from PubChem (CID 81428765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).