1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine

C16H20BrNOS — CID 105166777

IUPAC1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
SMILESCCNC(CCOc1cccc(C)c1)c1cscc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-18-16(14-10-20-11-15(14)17)7-8-19-13-6-4-5-12(2)9-13/h4-6,9-11,16,18H,3,7-8H2,1-2H3
InChIKeySMXJSIDRZJZMSN-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.94
Rot. Bonds7

About 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine

1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine (PubChem CID 105166777) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
PubChem CID105166777
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
SMILESCCNC(CCOc1cccc(C)c1)c1cscc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-18-16(14-10-20-11-15(14)17)7-8-19-13-6-4-5-12(2)9-13/h4-6,9-11,16,18H,3,7-8H2,1-2H3
InChIKeySMXJSIDRZJZMSN-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine 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,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106649751
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79594994
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
N-[(4-bromothiophen-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105010681
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine (CID 105166777) is 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine is CCNC(CCOc1cccc(C)c1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is SMXJSIDRZJZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-3-18-16(14-10-20-11-15(14)17)7-8-19-13-6-4-5-12(2)9-13/h4-6,9-11,16,18H,3,7-8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine?
1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 354.31 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 105166777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).