1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol

C13H19ClN2O — CID 168640587

IUPAC1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol
SMILESCC1CCc2cc(NCC(O)CCl)ccc2N1
InChIInChI=1S/C13H19ClN2O/c1-9-2-3-10-6-11(4-5-13(10)16-9)15-8-12(17)7-14/h4-6,9,12,15-17H,2-3,7-8H2,1H3
InChIKeyLQPQSAAWEDYNPF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.44
Rot. Bonds4

About 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol

1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol (PubChem CID 168640587) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol
PubChem CID168640587
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol
SMILESCC1CCc2cc(NCC(O)CCl)ccc2N1
InChIInChI=1S/C13H19ClN2O/c1-9-2-3-10-6-11(4-5-13(10)16-9)15-8-12(17)7-14/h4-6,9,12,15-17H,2-3,7-8H2,1H3
InChIKeyLQPQSAAWEDYNPF-UHFFFAOYSA-N
XLogP2.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol with MolForge

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Related Compounds

2-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168610429
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
6-[(3-chloro-2-hydroxypropyl)amino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168640091
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115122854
1-chloro-3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)amino]propan-2-ol
CID 168637409
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
1-chloro-3-[3-chloro-4-(3-methylpiperidin-1-yl)anilino]propan-2-ol
CID 168637559
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
CID 106915819
(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol
CID 175408463
1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol
CID 168638013

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol (CID 168640587) is 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol is CC1CCc2cc(NCC(O)CCl)ccc2N1.
What is the InChIKey of 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol?
The InChIKey is LQPQSAAWEDYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-2-3-10-6-11(4-5-13(10)16-9)15-8-12(17)7-14/h4-6,9,12,15-17H,2-3,7-8H2,1H3.
What are the key properties of 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol?
1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol has a molecular weight of 254.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propan-2-ol is sourced from PubChem (CID 168640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).