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

C15H15BrClNS — CID 78974964

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
SMILESClc1ccc(C(NCc2sccc2Br)C2CC2)cc1
InChIInChI=1S/C15H15BrClNS/c16-13-7-8-19-14(13)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2
InChIKeyBMZIKHXPPJGNDN-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.40
Rot. Bonds5

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

N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine (PubChem CID 78974964) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
PubChem CID78974964
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
SMILESClc1ccc(C(NCc2sccc2Br)C2CC2)cc1
InChIInChI=1S/C15H15BrClNS/c16-13-7-8-19-14(13)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2
InChIKeyBMZIKHXPPJGNDN-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 112841277
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62697507
4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380269
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine
CID 78910604
1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine (CID 78974964) is N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine is Clc1ccc(C(NCc2sccc2Br)C2CC2)cc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The InChIKey is BMZIKHXPPJGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c16-13-7-8-19-14(13)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine has a molecular weight of 356.72 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-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine is sourced from PubChem (CID 78974964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).