1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine

C11H16ClNS — CID 82553451

IUPAC1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H16ClNS/c1-8(2)14-11-5-4-10(12)6-9(11)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyGOYJDEQQFAHCKW-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine

1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine (PubChem CID 82553451) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
PubChem CID82553451
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H16ClNS/c1-8(2)14-11-5-4-10(12)6-9(11)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyGOYJDEQQFAHCKW-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 114864215
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865010
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
CID 82264840
N-[(4-chloro-2-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114864462
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine (CID 82553451) is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine is CNCc1cc(Cl)ccc1SC(C)C.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is GOYJDEQQFAHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8(2)14-11-5-4-10(12)6-9(11)7-13-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine?
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82553451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).