N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C14H17Br2NS2 — CID 107961210

IUPACN-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)c1sc(C)cc1C
InChIInChI=1S/C14H17Br2NS2/c1-4-5-17-12(10-7-11(15)19-14(10)16)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3
InChIKeySYBULOAETXDVFP-UHFFFAOYSA-N
MW423.24 g/mol
LogP6.04
Rot. Bonds5

About N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 107961210) has the molecular formula C14H17Br2NS2 and a molecular weight of 423.24 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID107961210
Molecular FormulaC14H17Br2NS2
Molecular Weight423.24 g/mol
Exact Mass420.92
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)c1sc(C)cc1C
InChIInChI=1S/C14H17Br2NS2/c1-4-5-17-12(10-7-11(15)19-14(10)16)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3
InChIKeySYBULOAETXDVFP-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.24
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152977
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
N-[(4-bromo-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]propan-1-amine
CID 63502701

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 107961210) is N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)sc1Br)c1sc(C)cc1C.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is SYBULOAETXDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NS2/c1-4-5-17-12(10-7-11(15)19-14(10)16)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 423.24 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107961210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).