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

C14H18ClNOS — CID 17290088

IUPACN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2cccs2)cc1.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-2-15-10-12-5-7-13(8-6-12)16-11-14-4-3-9-17-14;/h3-9,15H,2,10-11H2,1H3;1H
InChIKeyDHSIIDGJQXHPOL-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.86
Rot. Bonds6

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

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride (PubChem CID 17290088) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
PubChem CID17290088
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2cccs2)cc1.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-2-15-10-12-5-7-13(8-6-12)16-11-14-4-3-9-17-14;/h3-9,15H,2,10-11H2,1H3;1H
InChIKeyDHSIIDGJQXHPOL-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
2-(3,4-dimethoxyphenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715931
2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 132902601
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016

Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride (CID 17290088) is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride is CCNCc1ccc(OCc2cccs2)cc1.Cl.
What is the InChIKey of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is DHSIIDGJQXHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS.ClH/c1-2-15-10-12-5-7-13(8-6-12)16-11-14-4-3-9-17-14;/h3-9,15H,2,10-11H2,1H3;1H.
What are the key properties of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride?
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17290088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).