(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine

C12H12ClNS — CID 43114608

IUPAC(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNS/c1-8-2-4-9(5-3-8)12(14)10-6-7-11(13)15-10/h2-7,12H,14H2,1H3
InChIKeySMNFFPQEVVQGPT-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.76
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine

(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine (PubChem CID 43114608) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
PubChem CID43114608
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNS/c1-8-2-4-9(5-3-8)12(14)10-6-7-11(13)15-10/h2-7,12H,14H2,1H3
InChIKeySMNFFPQEVVQGPT-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
CID 79214254
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 62276867
1,3-benzodioxol-5-yl-(5-chlorothiophen-2-yl)methanamine
CID 43114603
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine
CID 130700462

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine (CID 43114608) is (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(Cl)s2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine?
The InChIKey is SMNFFPQEVVQGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-8-2-4-9(5-3-8)12(14)10-6-7-11(13)15-10/h2-7,12H,14H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine?
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine has a molecular weight of 237.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 43114608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).