10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride

C19H29BrClNOS — CID 10274596

IUPAC10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride
SMILESCNCCCCCCCCCCOc1ccc(Br)c2sccc12.Cl
InChIInChI=1S/C19H28BrNOS.ClH/c1-21-13-8-6-4-2-3-5-7-9-14-22-18-11-10-17(20)19-16(18)12-15-23-19;/h10-12,15,21H,2-9,13-14H2,1H3;1H
InChIKeyANCFFACVRVQBKP-UHFFFAOYSA-N
MW434.87 g/mol
LogP6.80
Rot. Bonds12

About 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride

10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride (PubChem CID 10274596) has the molecular formula C19H29BrClNOS and a molecular weight of 434.87 g/mol. Its IUPAC name is 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride.

Molecular Properties

Compound Name10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride
PubChem CID10274596
Molecular FormulaC19H29BrClNOS
Molecular Weight434.87 g/mol
Exact Mass433.08
IUPAC Name10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride
SMILESCNCCCCCCCCCCOc1ccc(Br)c2sccc12.Cl
InChIInChI=1S/C19H28BrNOS.ClH/c1-21-13-8-6-4-2-3-5-7-9-14-22-18-11-10-17(20)19-16(18)12-15-23-19;/h10-12,15,21H,2-9,13-14H2,1H3;1H
InChIKeyANCFFACVRVQBKP-UHFFFAOYSA-N
XLogP6.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.87
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451687
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 29015348
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
3-[2-bromo-5-(trifluoromethyl)phenoxy]-N-methylpropan-1-amine
CID 68595999
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496

Frequently Asked Questions

What is the IUPAC name of 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride?
The IUPAC name of 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride (CID 10274596) is 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride.
What is the SMILES notation for 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride?
The canonical SMILES for 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride is CNCCCCCCCCCCOc1ccc(Br)c2sccc12.Cl.
What is the InChIKey of 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride?
The InChIKey is ANCFFACVRVQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNOS.ClH/c1-21-13-8-6-4-2-3-5-7-9-14-22-18-11-10-17(20)19-16(18)12-15-23-19;/h10-12,15,21H,2-9,13-14H2,1H3;1H.
What are the key properties of 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride?
10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride has a molecular weight of 434.87 g/mol, XLogP of 6.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride is sourced from PubChem (CID 10274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).