(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine

C14H16ClNOS — CID 105006834

IUPAC(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H16ClNOS/c1-3-9-6-7-18-14(9)13(16)10-4-5-11(15)12(8-10)17-2/h4-8,13H,3,16H2,1-2H3
InChIKeyWCFNIRSPFSEOTO-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.02
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine

(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine (PubChem CID 105006834) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
PubChem CID105006834
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H16ClNOS/c1-3-9-6-7-18-14(9)13(16)10-4-5-11(15)12(8-10)17-2/h4-8,13H,3,16H2,1-2H3
InChIKeyWCFNIRSPFSEOTO-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 79984891
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine (CID 105006834) is (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1C(N)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is WCFNIRSPFSEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-3-9-6-7-18-14(9)13(16)10-4-5-11(15)12(8-10)17-2/h4-8,13H,3,16H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 281.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105006834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).