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

C12H12ClNOS — CID 43114585

IUPAC(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3
InChIKeyVAILKEDXLLGXNQ-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.46
Rot. Bonds3

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

(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine (PubChem CID 43114585) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
PubChem CID43114585
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3
InChIKeyVAILKEDXLLGXNQ-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
CID 79214254
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 61086226
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(5-chlorothiophen-2-yl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031917
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
CID 105173410

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine (CID 43114585) is (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)s2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The InChIKey is VAILKEDXLLGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 43114585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).