(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol

C10H14N2O — CID 123223883

IUPAC(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
SMILESNC1CCN(CO)c2ccccc21
InChIInChI=1S/C10H14N2O/c11-9-5-6-12(7-13)10-4-2-1-3-8(9)10/h1-4,9,13H,5-7,11H2
InChIKeyXWBVDMXLDRQPQU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.85
Rot. Bonds1

About (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol

(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol (PubChem CID 123223883) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol.

Molecular Properties

Compound Name(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
PubChem CID123223883
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
SMILESNC1CCN(CO)c2ccccc21
InChIInChI=1S/C10H14N2O/c11-9-5-6-12(7-13)10-4-2-1-3-8(9)10/h1-4,9,13H,5-7,11H2
InChIKeyXWBVDMXLDRQPQU-UHFFFAOYSA-N
XLogP0.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-Tetrahydroquinoline
CID 69460
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(2-Ethylphenyl)piperazine
CID 2736460
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432
1-Ethyl-1,2,3,4-tetrahydroquinoline
CID 117428
2-(2-Ethylanilino)ethanol
CID 251080
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349
N-[(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137636079
Piperazine, 1-(2-propylphenyl)-
CID 10774576
1-(2-Butyl-phenyl)-piperazine
CID 14479835
8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 83753960

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol?
The IUPAC name of (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol (CID 123223883) is (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol.
What is the SMILES notation for (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol?
The canonical SMILES for (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol is NC1CCN(CO)c2ccccc21.
What is the InChIKey of (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol?
The InChIKey is XWBVDMXLDRQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-5-6-12(7-13)10-4-2-1-3-8(9)10/h1-4,9,13H,5-7,11H2.
What are the key properties of (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol?
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol has a molecular weight of 178.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol is sourced from PubChem (CID 123223883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).