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

C14H15BrClNS — CID 113297998

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1sccc1Br
InChIInChI=1S/C14H15BrClNS/c1-10(7-11-3-2-4-12(16)8-11)17-9-14-13(15)5-6-18-14/h2-6,8,10,17H,7,9H2,1H3
InChIKeyYAZRAVQFBXJFEQ-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.88
Rot. Bonds5

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

N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine (PubChem CID 113297998) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
PubChem CID113297998
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1sccc1Br
InChIInChI=1S/C14H15BrClNS/c1-10(7-11-3-2-4-12(16)8-11)17-9-14-13(15)5-6-18-14/h2-6,8,10,17H,7,9H2,1H3
InChIKeyYAZRAVQFBXJFEQ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 43694725
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456654
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
4-bromo-2-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737718
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
3-[(3-bromothiophen-2-yl)methylamino]butanenitrile
CID 78924538

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine (CID 113297998) is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine is CC(Cc1cccc(Cl)c1)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The InChIKey is YAZRAVQFBXJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-10(7-11-3-2-4-12(16)8-11)17-9-14-13(15)5-6-18-14/h2-6,8,10,17H,7,9H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine has a molecular weight of 344.71 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 113297998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).