(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine

C18H18N2O — CID 103959274

IUPAC(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1cccc2cccnc12
InChIInChI=1S/C18H18N2O/c1-2-15(19)14-9-3-4-10-16(14)21-17-11-5-7-13-8-6-12-20-18(13)17/h3-12,15H,2,19H2,1H3/t15-/m0/s1
InChIKeyVZICJOJNHYQYKZ-HNNXBMFYSA-N
MW278.36 g/mol
LogP4.44
Rot. Bonds4

About (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine

(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine (PubChem CID 103959274) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine
PubChem CID103959274
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1cccc2cccnc12
InChIInChI=1S/C18H18N2O/c1-2-15(19)14-9-3-4-10-16(14)21-17-11-5-7-13-8-6-12-20-18(13)17/h3-12,15H,2,19H2,1H3/t15-/m0/s1
InChIKeyVZICJOJNHYQYKZ-HNNXBMFYSA-N
XLogP4.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-quinolin-8-yloxyphenyl)ethanol
CID 63372301
1-(5-fluoro-2-quinolin-8-yloxyphenyl)ethanamine
CID 43212382
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
CID 115995509
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
1-quinolin-8-ylbutan-1-amine
CID 79016206
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(2-methyl-1-quinolin-8-ylbutyl)hydrazine
CID 105219557
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine (CID 103959274) is (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine is CC[C@H](N)c1ccccc1Oc1cccc2cccnc12.
What is the InChIKey of (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine?
The InChIKey is VZICJOJNHYQYKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-15(19)14-9-3-4-10-16(14)21-17-11-5-7-13-8-6-12-20-18(13)17/h3-12,15H,2,19H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine?
(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 103959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).