1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine

C16H18ClNS — CID 107560396

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccc(C(N)CSc2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClNS/c1-11-7-8-13(9-14(11)17)15(18)10-19-16-6-4-3-5-12(16)2/h3-9,15H,10,18H2,1-2H3
InChIKeyBALIMUULMQRZPF-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.75
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine

1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 107560396) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID107560396
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccc(C(N)CSc2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClNS/c1-11-7-8-13(9-14(11)17)15(18)10-19-16-6-4-3-5-12(16)2/h3-9,15H,10,18H2,1-2H3
InChIKeyBALIMUULMQRZPF-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 107560390
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
1-(3-chloro-4-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 107560319
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine (CID 107560396) is 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine is Cc1ccc(C(N)CSc2ccccc2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is BALIMUULMQRZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11-7-8-13(9-14(11)17)15(18)10-19-16-6-4-3-5-12(16)2/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 291.85 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 107560396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).