N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

C14H17BrClNOS — CID 6457831

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1CNCc1cccs1.Cl
InChIInChI=1S/C14H16BrNOS.ClH/c1-2-17-14-6-5-12(15)8-11(14)9-16-10-13-4-3-7-18-13;/h3-8,16H,2,9-10H2,1H3;1H
InChIKeyAPUXYWRZJMOYJZ-UHFFFAOYSA-N
MW362.72 g/mol
LogP4.62
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 6457831) has the molecular formula C14H17BrClNOS and a molecular weight of 362.72 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
PubChem CID6457831
Molecular FormulaC14H17BrClNOS
Molecular Weight362.72 g/mol
Exact Mass360.99
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1CNCc1cccs1.Cl
InChIInChI=1S/C14H16BrNOS.ClH/c1-2-17-14-6-5-12(15)8-11(14)9-16-10-13-4-3-7-18-13;/h3-8,16H,2,9-10H2,1H3;1H
InChIKeyAPUXYWRZJMOYJZ-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 107938689
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 2983714
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 17291869
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17290374
1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 29222692
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (CID 6457831) is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is CCOc1ccc(Br)cc1CNCc1cccs1.Cl.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is APUXYWRZJMOYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS.ClH/c1-2-17-14-6-5-12(15)8-11(14)9-16-10-13-4-3-7-18-13;/h3-8,16H,2,9-10H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 362.72 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 6457831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).