N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine

C11H15Cl2NOS — CID 115763904

IUPACN-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1c(Cl)cccc1Cl)S(C)=O
InChIInChI=1S/C11H15Cl2NOS/c1-8(16(2)15)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIQZNJCVMIWQRAW-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.85
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine

N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115763904) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115763904
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1c(Cl)cccc1Cl)S(C)=O
InChIInChI=1S/C11H15Cl2NOS/c1-8(16(2)15)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIQZNJCVMIWQRAW-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764019
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763950
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
3-chloro-4-[(2-methylsulfinylpropylamino)methyl]benzonitrile
CID 102665099
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
(2R)-2-[(R)-methylsulfinyl]-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 97241565

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine (CID 115763904) is N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine is CC(CNCc1c(Cl)cccc1Cl)S(C)=O.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is IQZNJCVMIWQRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-8(16(2)15)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 280.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115763904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).