N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

C19H24N2OS — CID 143542444

IUPACN-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCc1ccc(OC)c(SNc2cccc3c2CN(C)CC3)c1
InChIInChI=1S/C19H24N2OS/c1-4-14-8-9-18(22-3)19(12-14)23-20-17-7-5-6-15-10-11-21(2)13-16(15)17/h5-9,12,20H,4,10-11,13H2,1-3H3
InChIKeyQTWKBAONSIBLDF-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.36
Rot. Bonds5

About N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 143542444) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID143542444
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCc1ccc(OC)c(SNc2cccc3c2CN(C)CC3)c1
InChIInChI=1S/C19H24N2OS/c1-4-14-8-9-18(22-3)19(12-14)23-20-17-7-5-6-15-10-11-21(2)13-16(15)17/h5-9,12,20H,4,10-11,13H2,1-3H3
InChIKeyQTWKBAONSIBLDF-UHFFFAOYSA-N
XLogP4.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 153381122
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224
4-ethyl-6-methoxy-3-N,3-N-dimethyl-1-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzene-1,3-dicarboxamide
CID 54498844
6-ethyl-N-(5-ethyl-2-methoxyphenyl)sulfanyl-4-methoxy-1,2-benzoxazol-3-amine;methanol;1-methylpiperidine;prop-2-ynal
CID 169217407
2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84778035
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-propan-2-ylbenzamide
CID 18687358
N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide
CID 21192927
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)urea
CID 54459960
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
(13E)-3,4-dimethoxy-6-methyl-7,8-dihydro-5H-benzo[e][2]benzazecine
CID 102295748
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
5-ethyl-2-methoxybenzoic acid
CID 20721149

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 143542444) is N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CCc1ccc(OC)c(SNc2cccc3c2CN(C)CC3)c1.
What is the InChIKey of N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is QTWKBAONSIBLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-4-14-8-9-18(22-3)19(12-14)23-20-17-7-5-6-15-10-11-21(2)13-16(15)17/h5-9,12,20H,4,10-11,13H2,1-3H3.
What are the key properties of N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 328.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 143542444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).