(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

C14H17NO3S — CID 105013575

IUPAC(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2sccc2OC)c1
InChIInChI=1S/C14H17NO3S/c1-16-10-6-9(7-11(8-10)17-2)13(15)14-12(18-3)4-5-19-14/h4-8,13H,15H2,1-3H3
InChIKeyRJVCMAWKZMBNAV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 105013575) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID105013575
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2sccc2OC)c1
InChIInChI=1S/C14H17NO3S/c1-16-10-6-9(7-11(8-10)17-2)13(15)14-12(18-3)4-5-19-14/h4-8,13H,15H2,1-3H3
InChIKeyRJVCMAWKZMBNAV-UHFFFAOYSA-N
XLogP2.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
CID 115791862
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 81122117
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 105013840

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (CID 105013575) is (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is COc1cc(OC)cc(C(N)c2sccc2OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is RJVCMAWKZMBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-16-10-6-9(7-11(8-10)17-2)13(15)14-12(18-3)4-5-19-14/h4-8,13H,15H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 279.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 105013575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).