N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine

C18H22BrNS — CID 79430577

IUPACN-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
SMILESCCc1ccc(CC(CNC2CC2)c2cccc(Br)c2)s1
InChIInChI=1S/C18H22BrNS/c1-2-17-8-9-18(21-17)11-14(12-20-16-6-7-16)13-4-3-5-15(19)10-13/h3-5,8-10,14,16,20H,2,6-7,11-12H2,1H3
InChIKeyUCNHVFAQIXVZDJ-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds7

About N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine

N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine (PubChem CID 79430577) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
PubChem CID79430577
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC NameN-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
SMILESCCc1ccc(CC(CNC2CC2)c2cccc(Br)c2)s1
InChIInChI=1S/C18H22BrNS/c1-2-17-8-9-18(21-17)11-14(12-20-16-6-7-16)13-4-3-5-15(19)10-13/h3-5,8-10,14,16,20H,2,6-7,11-12H2,1H3
InChIKeyUCNHVFAQIXVZDJ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79443583
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79442751
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine (CID 79430577) is N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine is CCc1ccc(CC(CNC2CC2)c2cccc(Br)c2)s1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The InChIKey is UCNHVFAQIXVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-17-8-9-18(21-17)11-14(12-20-16-6-7-16)13-4-3-5-15(19)10-13/h3-5,8-10,14,16,20H,2,6-7,11-12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine has a molecular weight of 364.35 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79430577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).