N-[2-(3-bromophenoxy)butyl]cyclopropanamine

C13H18BrNO — CID 62460625

IUPACN-[2-(3-bromophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-12(9-15-11-6-7-11)16-13-5-3-4-10(14)8-13/h3-5,8,11-12,15H,2,6-7,9H2,1H3
InChIKeyOHJCLBSSUUUTEL-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(3-bromophenoxy)butyl]cyclopropanamine

N-[2-(3-bromophenoxy)butyl]cyclopropanamine (PubChem CID 62460625) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)butyl]cyclopropanamine
PubChem CID62460625
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(3-bromophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-12(9-15-11-6-7-11)16-13-5-3-4-10(14)8-13/h3-5,8,11-12,15H,2,6-7,9H2,1H3
InChIKeyOHJCLBSSUUUTEL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
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N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
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N-(2-phenoxybutyl)cyclopentanamine
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N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
CID 103228977
[(1S)-1-(3-bromophenoxy)ethyl]cycloheptane
CID 126753998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenoxy)butyl]cyclopropanamine (CID 62460625) is N-[2-(3-bromophenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)butyl]cyclopropanamine?
The InChIKey is OHJCLBSSUUUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-12(9-15-11-6-7-11)16-13-5-3-4-10(14)8-13/h3-5,8,11-12,15H,2,6-7,9H2,1H3.
What are the key properties of N-[2-(3-bromophenoxy)butyl]cyclopropanamine?
N-[2-(3-bromophenoxy)butyl]cyclopropanamine has a molecular weight of 284.20 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62460625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).