N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine

C14H14BrCl2NS — CID 63502746

IUPACN-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14BrCl2NS/c1-2-8-18-14(11-6-7-12(15)19-11)13-9(16)4-3-5-10(13)17/h3-7,14,18H,2,8H2,1H3
InChIKeyGCSNFBGGAAKLTQ-UHFFFAOYSA-N
MW379.15 g/mol
LogP5.91
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine

N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine (PubChem CID 63502746) has the molecular formula C14H14BrCl2NS and a molecular weight of 379.15 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
PubChem CID63502746
Molecular FormulaC14H14BrCl2NS
Molecular Weight379.15 g/mol
Exact Mass376.94
IUPAC NameN-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14BrCl2NS/c1-2-8-18-14(11-6-7-12(15)19-11)13-9(16)4-3-5-10(13)17/h3-7,14,18H,2,8H2,1H3
InChIKeyGCSNFBGGAAKLTQ-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.15
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 80532243
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833
N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
CID 43496386
N-[(5-bromo-4-methylthiophen-2-yl)-(2-chloro-6-fluorophenyl)methyl]propan-1-amine
CID 79991025
N-[(5-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237372
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(5-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61345428
N-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495485
N-[(4,5-dibromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 80533967

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine (CID 63502746) is N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is GCSNFBGGAAKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NS/c1-2-8-18-14(11-6-7-12(15)19-11)13-9(16)4-3-5-10(13)17/h3-7,14,18H,2,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 379.15 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63502746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).