3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol

C12H17Cl2NOS — CID 103649025

IUPAC3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NOS/c13-11-6-10(7-12(14)8-11)9-15-2-5-17-4-1-3-16/h6-8,15-16H,1-5,9H2
InChIKeyQFVSFYKZRSQDRY-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.20
Rot. Bonds8

About 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol

3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol (PubChem CID 103649025) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
PubChem CID103649025
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NOS/c13-11-6-10(7-12(14)8-11)9-15-2-5-17-4-1-3-16/h6-8,15-16H,1-5,9H2
InChIKeyQFVSFYKZRSQDRY-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol 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

2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
3-[2-[(3,4-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649163
3-[2-[(4-ethylphenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649185
4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]benzonitrile
CID 111104955
3-[2-(furan-3-ylmethylamino)ethylsulfanyl]propan-1-ol;hydrochloride
CID 115616098
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
3-[2-[(4-nitrophenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649131
2-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]phenol
CID 103649053
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
3-amino-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 114171675
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol (CID 103649025) is 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol is OCCCSCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol?
The InChIKey is QFVSFYKZRSQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c13-11-6-10(7-12(14)8-11)9-15-2-5-17-4-1-3-16/h6-8,15-16H,1-5,9H2.
What are the key properties of 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol?
3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol has a molecular weight of 294.25 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103649025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).