N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine

C17H18BrNO — CID 105406447

IUPACN-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-12-6-7-13(11-19-14-8-9-14)10-17(12)20-16-5-3-2-4-15(16)18/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyFWLBBBNBXJVQSQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine

N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine (PubChem CID 105406447) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
PubChem CID105406447
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-12-6-7-13(11-19-14-8-9-14)10-17(12)20-16-5-3-2-4-15(16)18/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyFWLBBBNBXJVQSQ-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-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406443
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
CID 105407183
N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076138
N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550904
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine (CID 105406447) is N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1Oc1ccccc1Br.
What is the InChIKey of N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The InChIKey is FWLBBBNBXJVQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-6-7-13(11-19-14-8-9-14)10-17(12)20-16-5-3-2-4-15(16)18/h2-7,10,14,19H,8-9,11H2,1H3.
What are the key properties of N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
N-[[3-(2-bromophenoxy)-4-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-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105406447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).