N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine

C19H22BrNO2 — CID 66534972

IUPACN-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)c(Br)cc1OCc1cccc(C)c1
InChIInChI=1S/C19H22BrNO2/c1-13-4-3-5-14(8-13)12-23-19-10-17(20)15(9-18(19)22-2)11-21-16-6-7-16/h3-5,8-10,16,21H,6-7,11-12H2,1-2H3
InChIKeyRSUYGQVBRATJTH-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.60
Rot. Bonds7

About N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 66534972) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID66534972
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)c(Br)cc1OCc1cccc(C)c1
InChIInChI=1S/C19H22BrNO2/c1-13-4-3-5-14(8-13)12-23-19-10-17(20)15(9-18(19)22-2)11-21-16-6-7-16/h3-5,8-10,16,21H,6-7,11-12H2,1-2H3
InChIKeyRSUYGQVBRATJTH-UHFFFAOYSA-N
XLogP4.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 66534993
N-[[2-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66533442
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-en-1-amine
CID 66535091
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 66535438
N'-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 66538159
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66532962
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 66535078
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66535024
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66532982

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 66534972) is N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)c(Br)cc1OCc1cccc(C)c1.
What is the InChIKey of N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is RSUYGQVBRATJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13-4-3-5-14(8-13)12-23-19-10-17(20)15(9-18(19)22-2)11-21-16-6-7-16/h3-5,8-10,16,21H,6-7,11-12H2,1-2H3.
What are the key properties of N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 376.29 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66534972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).