(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine

C14H16ClNO2S — CID 105035341

IUPAC(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1sccc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13H,7-8,16H2,1H3
InChIKeySSLSUXCFGHCHCT-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.47
Rot. Bonds6

About (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine

(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 105035341) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID105035341
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1sccc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13H,7-8,16H2,1H3
InChIKeySSLSUXCFGHCHCT-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105334131
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine (CID 105035341) is (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is SSLSUXCFGHCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13H,7-8,16H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine?
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 297.81 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 105035341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).