1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

C14H24BrNOS — CID 105139578

IUPAC1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1sccc1Br
InChIInChI=1S/C14H24BrNOS/c1-5-7-16-11(10-17-14(2,3)4)9-13-12(15)6-8-18-13/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyISVYNPIEQJHPNL-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.24
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (PubChem CID 105139578) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
PubChem CID105139578
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1sccc1Br
InChIInChI=1S/C14H24BrNOS/c1-5-7-16-11(10-17-14(2,3)4)9-13-12(15)6-8-18-13/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyISVYNPIEQJHPNL-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720763
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (CID 105139578) is 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is CCCNC(COC(C)(C)C)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The InChIKey is ISVYNPIEQJHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-5-7-16-11(10-17-14(2,3)4)9-13-12(15)6-8-18-13/h6,8,11,16H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine has a molecular weight of 334.32 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is sourced from PubChem (CID 105139578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).