(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine

C10H10ClNOS2 — CID 81121868

IUPAC(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1sccc1Cl
InChIInChI=1S/C10H10ClNOS2/c1-13-7-3-5-15-10(7)8(12)9-6(11)2-4-14-9/h2-5,8H,12H2,1H3
InChIKeyDRFFWXDMTVTPND-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.52
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine

(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81121868) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81121868
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1sccc1Cl
InChIInChI=1S/C10H10ClNOS2/c1-13-7-3-5-15-10(7)8(12)9-6(11)2-4-14-9/h2-5,8H,12H2,1H3
InChIKeyDRFFWXDMTVTPND-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105046501
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
CID 80530505
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine (CID 81121868) is (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is DRFFWXDMTVTPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c1-13-7-3-5-15-10(7)8(12)9-6(11)2-4-14-9/h2-5,8H,12H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine?
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 259.78 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81121868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).