N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine

C10H14ClNS — CID 82553412

IUPACN-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1SC
InChIInChI=1S/C10H14ClNS/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyLFZBFKQWNHNVIF-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine

N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 82553412) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID82553412
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1SC
InChIInChI=1S/C10H14ClNS/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyLFZBFKQWNHNVIF-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
3-[4-chloro-2-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 114865002
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine
CID 114864304
N-[[2-(1,3-benzoxazol-2-ylsulfanyl)-5-chlorophenyl]methyl]ethanamine
CID 114864141
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
CID 114864111
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115762453

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine (CID 82553412) is N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine is CCNCc1cc(Cl)ccc1SC.
What is the InChIKey of N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is LFZBFKQWNHNVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 215.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 82553412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).