2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine

C16H18ClNS — CID 103290995

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSCc1ccccc1Cl
InChIInChI=1S/C16H18ClNS/c1-12-6-2-4-8-14(12)16(18)11-19-10-13-7-3-5-9-15(13)17/h2-9,16H,10-11,18H2,1H3
InChIKeyNVBHIPSSXXSSLE-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.58
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine

2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine (PubChem CID 103290995) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
PubChem CID103290995
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSCc1ccccc1Cl
InChIInChI=1S/C16H18ClNS/c1-12-6-2-4-8-14(12)16(18)11-19-10-13-7-3-5-9-15(13)17/h2-9,16H,10-11,18H2,1H3
InChIKeyNVBHIPSSXXSSLE-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
1-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]-2-chlorobenzene
CID 103288088
2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
ethyl 3-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)propanoate
CID 103289594
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085
1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
CID 103291082

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine (CID 103290995) is 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is NVBHIPSSXXSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12-6-2-4-8-14(12)16(18)11-19-10-13-7-3-5-9-15(13)17/h2-9,16H,10-11,18H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine?
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 291.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 103290995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).