1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine

C12H18ClNS — CID 63809725

IUPAC1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1SCC(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)8-15-12-6-4-5-11(13)10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeySNFLIKBJDGGBQX-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 63809725) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID63809725
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1SCC(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)8-15-12-6-4-5-11(13)10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeySNFLIKBJDGGBQX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butylsulfanyl-6-chlorophenyl)-N-methylmethanamine
CID 63809779
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 63805579
1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809424
1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 114864215
1-[2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 113431904
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921
3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
5-[3-chloro-2-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55240188

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine (CID 63809725) is 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1SCC(C)C.
What is the InChIKey of 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is SNFLIKBJDGGBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-9(2)8-15-12-6-4-5-11(13)10(12)7-14-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 243.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63809725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).