N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine

C16H17BrClNS — CID 79449507

IUPACN-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
SMILESClc1ccccc1C(CNC1CC1)Cc1cc(Br)cs1
InChIInChI=1S/C16H17BrClNS/c17-12-8-14(20-10-12)7-11(9-19-13-5-6-13)15-3-1-2-4-16(15)18/h1-4,8,10-11,13,19H,5-7,9H2
InChIKeyREZDREGIQRBSNN-UHFFFAOYSA-N
MW370.74 g/mol
LogP5.24
Rot. Bonds6

About N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine

N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine (PubChem CID 79449507) has the molecular formula C16H17BrClNS and a molecular weight of 370.74 g/mol. Its IUPAC name is N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
PubChem CID79449507
Molecular FormulaC16H17BrClNS
Molecular Weight370.74 g/mol
Exact Mass369.00
IUPAC NameN-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
SMILESClc1ccccc1C(CNC1CC1)Cc1cc(Br)cs1
InChIInChI=1S/C16H17BrClNS/c17-12-8-14(20-10-12)7-11(9-19-13-5-6-13)15-3-1-2-4-16(15)18/h1-4,8,10-11,13,19H,5-7,9H2
InChIKeyREZDREGIQRBSNN-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79436421
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
CID 62529611
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine (CID 79449507) is N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine is Clc1ccccc1C(CNC1CC1)Cc1cc(Br)cs1.
What is the InChIKey of N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The InChIKey is REZDREGIQRBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNS/c17-12-8-14(20-10-12)7-11(9-19-13-5-6-13)15-3-1-2-4-16(15)18/h1-4,8,10-11,13,19H,5-7,9H2.
What are the key properties of N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine has a molecular weight of 370.74 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79449507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).