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

C16H18BrNO — CID 83182710

IUPACN-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)Cc2ccoc2)c1
InChIInChI=1S/C16H18BrNO/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2
InChIKeyGJUKBCIBICHQDZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds6

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

N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine (PubChem CID 83182710) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
PubChem CID83182710
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)Cc2ccoc2)c1
InChIInChI=1S/C16H18BrNO/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2
InChIKeyGJUKBCIBICHQDZ-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
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N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79443583
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
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CID 62382196

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine (CID 83182710) is N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine is Brc1cccc(C(CNC2CC2)Cc2ccoc2)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine?
The InChIKey is GJUKBCIBICHQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2.
What are the key properties of N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine?
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 6 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-(furan-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 83182710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).