[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine

C14H14ClNS — CID 63088855

IUPAC[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C14H14ClNS/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyNKABDSMQGDUQQB-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.26
Rot. Bonds3

About [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine

[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 63088855) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
PubChem CID63088855
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C14H14ClNS/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyNKABDSMQGDUQQB-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 63089190
[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine
CID 63404960
4-(2-chloro-4-ethylphenyl)sulfanylphenol
CID 91879878
2-[4-(aminomethyl)-2-chlorophenyl]sulfanylpyrimidine-4,6-diamine
CID 81160707
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
3-[4-(aminomethyl)-2-chlorophenyl]sulfanylbutan-2-ol
CID 107772258
2-[3-chloro-4-(4-ethoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879286
[3-methyl-4-(4-nitrophenyl)sulfanylphenyl]methanamine
CID 63808882
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
CID 71421286

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine (CID 63088855) is [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine is Cc1ccc(Sc2ccc(CN)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is NKABDSMQGDUQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine?
[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 263.79 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 63088855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).