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

C15H18ClNO2S — CID 79984891

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3
InChIKeyFRZAZRVLCXKNTK-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.03
Rot. Bonds5

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

(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine (PubChem CID 79984891) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
PubChem CID79984891
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3
InChIKeyFRZAZRVLCXKNTK-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975691
(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
CID 79985063
(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115484530
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-3-ethylthiophene
CID 79974959
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 105057093
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine (CID 79984891) is (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1C(N)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is FRZAZRVLCXKNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 311.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 79984891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).