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

C14H15BrClNS — CID 43674094

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)cs1)c1cccc(Cl)c1
InChIInChI=1S/C14H15BrClNS/c1-2-14(10-4-3-5-12(16)6-10)17-8-13-7-11(15)9-18-13/h3-7,9,14,17H,2,8H2,1H3
InChIKeyUREXHUGUYQWMJJ-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.40
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine (PubChem CID 43674094) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
PubChem CID43674094
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)cs1)c1cccc(Cl)c1
InChIInChI=1S/C14H15BrClNS/c1-2-14(10-4-3-5-12(16)6-10)17-8-13-7-11(15)9-18-13/h3-7,9,14,17H,2,8H2,1H3
InChIKeyUREXHUGUYQWMJJ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
2-chloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 115904752
2,4-dichloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 43674065

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine (CID 43674094) is N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine is CCC(NCc1cc(Br)cs1)c1cccc(Cl)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is UREXHUGUYQWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-2-14(10-4-3-5-12(16)6-10)17-8-13-7-11(15)9-18-13/h3-7,9,14,17H,2,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 344.71 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 43674094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).