(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine

C14H16ClNOS — CID 102763414

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H16ClNOS/c1-8-4-5-11(17-3)10(6-8)13(16)12-7-9(2)14(15)18-12/h4-7,13H,16H2,1-3H3
InChIKeyLIUSLCPODBLSOR-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.08
Rot. Bonds3

About (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 102763414) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
PubChem CID102763414
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H16ClNOS/c1-8-4-5-11(17-3)10(6-8)13(16)12-7-9(2)14(15)18-12/h4-7,13H,16H2,1-3H3
InChIKeyLIUSLCPODBLSOR-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
CID 65238549
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102828304
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine (CID 102763414) is (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)c1cc(C)c(Cl)s1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is LIUSLCPODBLSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-8-4-5-11(17-3)10(6-8)13(16)12-7-9(2)14(15)18-12/h4-7,13H,16H2,1-3H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 281.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 102763414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).