N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine

C17H18BrNO — CID 63552532

IUPACN-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccccc2Br)ccc1CNC1CC1
InChIInChI=1S/C17H18BrNO/c1-12-10-15(20-17-5-3-2-4-16(17)18)9-6-13(12)11-19-14-7-8-14/h2-6,9-10,14,19H,7-8,11H2,1H3
InChIKeyUPXCVKCTUDHQBD-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.80
Rot. Bonds5

About N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 63552532) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID63552532
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccccc2Br)ccc1CNC1CC1
InChIInChI=1S/C17H18BrNO/c1-12-10-15(20-17-5-3-2-4-16(17)18)9-6-13(12)11-19-14-7-8-14/h2-6,9-10,14,19H,7-8,11H2,1H3
InChIKeyUPXCVKCTUDHQBD-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 83138147
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076138

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine (CID 63552532) is N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine is Cc1cc(Oc2ccccc2Br)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is UPXCVKCTUDHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-10-15(20-17-5-3-2-4-16(17)18)9-6-13(12)11-19-14-7-8-14/h2-6,9-10,14,19H,7-8,11H2,1H3.
What are the key properties of N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 332.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).