(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine

C18H18N2O — CID 146479702

IUPAC(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
SMILESCOc1ccc2nc([C@@H](N)Cc3ccccc3)ccc2c1
InChIInChI=1S/C18H18N2O/c1-21-15-8-10-17-14(12-15)7-9-18(20-17)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3/t16-/m0/s1
InChIKeyYSYRLJBEWCSCJG-INIZCTEOSA-N
MW278.36 g/mol
LogP3.49
Rot. Bonds4

About (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine

(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine (PubChem CID 146479702) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
PubChem CID146479702
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
SMILESCOc1ccc2nc([C@@H](N)Cc3ccccc3)ccc2c1
InChIInChI=1S/C18H18N2O/c1-21-15-8-10-17-14(12-15)7-9-18(20-17)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3/t16-/m0/s1
InChIKeyYSYRLJBEWCSCJG-INIZCTEOSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
CID 138978300
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
2-butan-2-yl-6-methoxyquinoline
CID 142826325
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine
CID 91596572
2-methoxy-7-[(2R)-1-phenylpropan-2-yl]oxyphenazine
CID 155707776
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine?
The IUPAC name of (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine (CID 146479702) is (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine.
What is the SMILES notation for (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine?
The canonical SMILES for (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine is COc1ccc2nc([C@@H](N)Cc3ccccc3)ccc2c1.
What is the InChIKey of (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine?
The InChIKey is YSYRLJBEWCSCJG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-15-8-10-17-14(12-15)7-9-18(20-17)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine?
(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine is sourced from PubChem (CID 146479702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).