[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine

C10H14ClNOS — CID 62946264

IUPAC[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
SMILESCOCCSc1ccc(CN)c(Cl)c1
InChIInChI=1S/C10H14ClNOS/c1-13-4-5-14-9-3-2-8(7-12)10(11)6-9/h2-3,6H,4-5,7,12H2,1H3
InChIKeyRFFFGIWYTOCIFT-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.54
Rot. Bonds5

About [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine

[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine (PubChem CID 62946264) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
PubChem CID62946264
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
SMILESCOCCSc1ccc(CN)c(Cl)c1
InChIInChI=1S/C10H14ClNOS/c1-13-4-5-14-9-3-2-8(7-12)10(11)6-9/h2-3,6H,4-5,7,12H2,1H3
InChIKeyRFFFGIWYTOCIFT-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.54
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

[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
CID 102669087
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 55152229
2-chloro-4-(3-methoxypropylsulfanyl)benzonitrile
CID 63857733
[3-chloro-4-[(3,4-dimethylphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669115
4-bromo-2-chloro-1-(2-methoxyethylsulfanylmethyl)benzene
CID 115598144
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62944053
[3-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669110
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
CID 83002282
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
2-chloro-4-propylsulfanylaniline
CID 79150326

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine (CID 62946264) is [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine is COCCSc1ccc(CN)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine?
The InChIKey is RFFFGIWYTOCIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-13-4-5-14-9-3-2-8(7-12)10(11)6-9/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine?
[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 62946264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).