N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine

C18H20BrNO — CID 107285110

IUPACN-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cc(Br)ccc2C)ccc1CNC1CC1
InChIInChI=1S/C18H20BrNO/c1-12-3-5-15(19)10-18(12)21-17-8-4-14(13(2)9-17)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3
InChIKeyRFKVMSJBTPJKSV-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.11
Rot. Bonds5

About N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 107285110) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID107285110
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cc(Br)ccc2C)ccc1CNC1CC1
InChIInChI=1S/C18H20BrNO/c1-12-3-5-15(19)10-18(12)21-17-8-4-14(13(2)9-17)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3
InChIKeyRFKVMSJBTPJKSV-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
4-[(4-bromo-2-methylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509710
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine (CID 107285110) is N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine is Cc1cc(Oc2cc(Br)ccc2C)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is RFKVMSJBTPJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-3-5-15(19)10-18(12)21-17-8-4-14(13(2)9-17)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3.
What are the key properties of N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 346.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).