N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

C24H24ClNOS — CID 143337862

IUPACN-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(N(C)Sc2ccccc2-c2ccc(Cl)cc2)c2c1CCCC2
InChIInChI=1S/C24H24ClNOS/c1-26(22-15-16-23(27-2)21-9-4-3-8-20(21)22)28-24-10-6-5-7-19(24)17-11-13-18(25)14-12-17/h5-7,10-16H,3-4,8-9H2,1-2H3
InChIKeyJUHBINJXZRGOMD-UHFFFAOYSA-N
MW409.98 g/mol
LogP7.04
Rot. Bonds5

About N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 143337862) has the molecular formula C24H24ClNOS and a molecular weight of 409.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID143337862
Molecular FormulaC24H24ClNOS
Molecular Weight409.98 g/mol
Exact Mass409.13
IUPAC NameN-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(N(C)Sc2ccccc2-c2ccc(Cl)cc2)c2c1CCCC2
InChIInChI=1S/C24H24ClNOS/c1-26(22-15-16-23(27-2)21-9-4-3-8-20(21)22)28-24-10-6-5-7-19(24)17-11-13-18(25)14-12-17/h5-7,10-16H,3-4,8-9H2,1-2H3
InChIKeyJUHBINJXZRGOMD-UHFFFAOYSA-N
XLogP7.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.98
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine 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

4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
CID 174823810
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
1-(5-chloro-2-methoxyphenyl)-3-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3339769
2-[(4-chlorophenyl)methyl]-5-methoxy-3,4-dihydroisoquinolin-1-one
CID 4054509
1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene
CID 173189754
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 46977037
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 143337862) is N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is COc1ccc(N(C)Sc2ccccc2-c2ccc(Cl)cc2)c2c1CCCC2.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is JUHBINJXZRGOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNOS/c1-26(22-15-16-23(27-2)21-9-4-3-8-20(21)22)28-24-10-6-5-7-19(24)17-11-13-18(25)14-12-17/h5-7,10-16H,3-4,8-9H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 409.98 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]sulfanyl-4-methoxy-N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 143337862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).