N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine

C13H16BrNO — CID 103066410

IUPACN-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-10(8-15-11-6-7-11)9-16-13-5-3-2-4-12(13)14/h2-5,11,15H,1,6-9H2
InChIKeyNCLFCFCKRJVCPW-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103066410) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103066410
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-10(8-15-11-6-7-11)9-16-13-5-3-2-4-12(13)14/h2-5,11,15H,1,6-9H2
InChIKeyNCLFCFCKRJVCPW-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-[2-[(2,5-dibromo-4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067342
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074981
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
N-[2-[(2-fluoro-4-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066948
N-[2-[(5-chloro-2-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067182

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine (CID 103066410) is N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COc1ccccc1Br.
What is the InChIKey of N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is NCLFCFCKRJVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10(8-15-11-6-7-11)9-16-13-5-3-2-4-12(13)14/h2-5,11,15H,1,6-9H2.
What are the key properties of N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 282.18 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103066410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).