N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine

C15H25BrN2OS — CID 79676101

IUPACN-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1Br)C1CN(CCC)CCO1
InChIInChI=1S/C15H25BrN2OS/c1-3-5-17-15(12-10-20-11-13(12)16)14-9-18(6-4-2)7-8-19-14/h10-11,14-15,17H,3-9H2,1-2H3
InChIKeyXUIIDXKODKMBHJ-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.66
Rot. Bonds7

About N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine

N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79676101) has the molecular formula C15H25BrN2OS and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79676101
Molecular FormulaC15H25BrN2OS
Molecular Weight361.35 g/mol
Exact Mass360.09
IUPAC NameN-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1Br)C1CN(CCC)CCO1
InChIInChI=1S/C15H25BrN2OS/c1-3-5-17-15(12-10-20-11-13(12)16)14-9-18(6-4-2)7-8-19-14/h10-11,14-15,17H,3-9H2,1-2H3
InChIKeyXUIIDXKODKMBHJ-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine (CID 79676101) is N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1cscc1Br)C1CN(CCC)CCO1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is XUIIDXKODKMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2OS/c1-3-5-17-15(12-10-20-11-13(12)16)14-9-18(6-4-2)7-8-19-14/h10-11,14-15,17H,3-9H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 361.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79676101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).