(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine

C15H19NO2S — CID 43198261

IUPAC(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C15H19NO2S/c1-4-11-6-8-14(19-11)15(16)10-5-7-12(17-2)13(9-10)18-3/h5-9,15H,4,16H2,1-3H3
InChIKeyPWTROPOKPCLZLE-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.38
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine

(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 43198261) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID43198261
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C15H19NO2S/c1-4-11-6-8-14(19-11)15(16)10-5-7-12(17-2)13(9-10)18-3/h5-9,15H,4,16H2,1-3H3
InChIKeyPWTROPOKPCLZLE-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
CID 81284879
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine (CID 43198261) is (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is PWTROPOKPCLZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-11-6-8-14(19-11)15(16)10-5-7-12(17-2)13(9-10)18-3/h5-9,15H,4,16H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine?
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 43198261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).