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

C14H14BrCl2NS — CID 105010601

IUPACN-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1cscc1Br
InChIInChI=1S/C14H14BrCl2NS/c1-2-5-18-14(11-7-19-8-12(11)15)10-4-3-9(16)6-13(10)17/h3-4,6-8,14,18H,2,5H2,1H3
InChIKeyZIKUOTWTMIYOCX-UHFFFAOYSA-N
MW379.15 g/mol
LogP5.91
Rot. Bonds5

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

N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine (PubChem CID 105010601) has the molecular formula C14H14BrCl2NS and a molecular weight of 379.15 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
PubChem CID105010601
Molecular FormulaC14H14BrCl2NS
Molecular Weight379.15 g/mol
Exact Mass376.94
IUPAC NameN-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1cscc1Br
InChIInChI=1S/C14H14BrCl2NS/c1-2-5-18-14(11-7-19-8-12(11)15)10-4-3-9(16)6-13(10)17/h3-4,6-8,14,18H,2,5H2,1H3
InChIKeyZIKUOTWTMIYOCX-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-[(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 105010456
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
N-[(4-bromo-2-fluorophenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 114906757
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705
N-[(4-bromo-5-methylthiophen-2-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 102827862
N-[(4-bromothiophen-3-yl)-(3,4-difluorophenyl)methyl]propan-1-amine
CID 79596511
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
N-[(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 105010546
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine (CID 105010601) is N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1Cl)c1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is ZIKUOTWTMIYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NS/c1-2-5-18-14(11-7-19-8-12(11)15)10-4-3-9(16)6-13(10)17/h3-4,6-8,14,18H,2,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-(2,4-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-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105010601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).