2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride

C19H21ClN2O2S — CID 132902601

IUPAC2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
InChIInChI=1S/C19H20N2O2S.ClH/c1-2-10-21-19(5-1)22-12-11-20-14-16-6-8-17(9-7-16)23-15-18-4-3-13-24-18;/h1-10,13,20H,11-12,14-15H2;1H
InChIKeyNNOHOZYNFFWWAP-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.31
Rot. Bonds9

About 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride

2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride (PubChem CID 132902601) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
PubChem CID132902601
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1
InChIInChI=1S/C19H20N2O2S.ClH/c1-2-10-21-19(5-1)22-12-11-20-14-16-6-8-17(9-7-16)23-15-18-4-3-13-24-18;/h1-10,13,20H,11-12,14-15H2;1H
InChIKeyNNOHOZYNFFWWAP-UHFFFAOYSA-N
XLogP4.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526077
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
CID 17289507
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
2-(3,4-dimethoxyphenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715931
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17331783
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride (CID 132902601) is 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride is Cl.c1ccc(OCCNCc2ccc(OCc3cccs3)cc2)nc1.
What is the InChIKey of 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is NNOHOZYNFFWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S.ClH/c1-2-10-21-19(5-1)22-12-11-20-14-16-6-8-17(9-7-16)23-15-18-4-3-13-24-18;/h1-10,13,20H,11-12,14-15H2;1H.
What are the key properties of 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 132902601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).