1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C16H20BrNS — CID 63774616

IUPAC1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNS/c1-2-10-18-16(9-8-15-7-4-11-19-15)13-5-3-6-14(17)12-13/h3-7,11-12,16,18H,2,8-10H2,1H3
InChIKeyQSGCHAUXSUHKGR-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.18
Rot. Bonds7

About 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 63774616) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID63774616
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNS/c1-2-10-18-16(9-8-15-7-4-11-19-15)13-5-3-6-14(17)12-13/h3-7,11-12,16,18H,2,8-10H2,1H3
InChIKeyQSGCHAUXSUHKGR-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81153016
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 63774616) is 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QSGCHAUXSUHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-2-10-18-16(9-8-15-7-4-11-19-15)13-5-3-6-14(17)12-13/h3-7,11-12,16,18H,2,8-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63774616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).