N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine

C16H18ClNOS — CID 63806826

IUPACN-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-19-11-10-18-12-13-6-8-14(9-7-13)20-16-5-3-2-4-15(16)17/h2-9,18H,10-12H2,1H3
InChIKeyGIDAYRNHSSCTMG-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.23
Rot. Bonds7

About N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine

N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine (PubChem CID 63806826) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
PubChem CID63806826
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-19-11-10-18-12-13-6-8-14(9-7-13)20-16-5-3-2-4-15(16)17/h2-9,18H,10-12H2,1H3
InChIKeyGIDAYRNHSSCTMG-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63806117
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805959
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160781
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
N-[[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63804911
N-[[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 81159226
2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
CID 63807612
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
2-methoxy-N-[[4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809189
N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806578
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine (CID 63806826) is N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine?
The InChIKey is GIDAYRNHSSCTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-19-11-10-18-12-13-6-8-14(9-7-13)20-16-5-3-2-4-15(16)17/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine?
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine has a molecular weight of 307.85 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63806826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).