(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine

C14H17NO2S — CID 43626602

IUPAC(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(C)c(C(N)c2ccsc2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8,14H,15H2,1-3H3
InChIKeyXANXTEKXNNVNRE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.12
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine

(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine (PubChem CID 43626602) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
PubChem CID43626602
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(C)c(C(N)c2ccsc2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8,14H,15H2,1-3H3
InChIKeyXANXTEKXNNVNRE-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 61096009
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine (CID 43626602) is (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine is COc1cc(C)c(C(N)c2ccsc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is XANXTEKXNNVNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8,14H,15H2,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine?
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 43626602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).