1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C13H16ClNOS — CID 6461550

IUPAC1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccs1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12;/h2-8,14H,9-10H2,1H3;1H
InChIKeyZTDFEMSHNAEUIP-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 6461550) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID6461550
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccs1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12;/h2-8,14H,9-10H2,1H3;1H
InChIKeyZTDFEMSHNAEUIP-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromothiophen-2-yl)-2-{[(2-methoxyphenyl)methyl]amino}ethan-1-ol
CID 23647933
2-(2-Methoxyphenyl)-1,3-thiazolidine
CID 218556
(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10714695
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
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N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
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[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
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Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 6461550) is 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is COc1ccccc1CNCc1cccs1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is ZTDFEMSHNAEUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.ClH/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12;/h2-8,14H,9-10H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6461550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).