[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine

C11H16ClNOS — CID 102669087

IUPAC[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
SMILESCOCCSCc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNOS/c1-14-4-5-15-8-10-3-2-9(7-13)6-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyKAMBRTDAMKZQEF-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.68
Rot. Bonds6

About [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine

[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine (PubChem CID 102669087) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
PubChem CID102669087
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
SMILESCOCCSCc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNOS/c1-14-4-5-15-8-10-3-2-9(7-13)6-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyKAMBRTDAMKZQEF-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine 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-bromo-2-chloro-1-(2-methoxyethylsulfanylmethyl)benzene
CID 115598144
[3-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669110
[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
CID 62946264
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181081
[3-chloro-4-[(3,4-dimethylphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669115
[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 102669136
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
[3-[3-[(2-chlorophenyl)methylsulfanyl]propoxy]phenyl]methanamine
CID 103288959
1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
CID 112815273
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181088

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine (CID 102669087) is [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine is COCCSCc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine?
The InChIKey is KAMBRTDAMKZQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-14-4-5-15-8-10-3-2-9(7-13)6-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine?
[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine has a molecular weight of 245.77 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 102669087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).