N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine

C17H17Br2NO — CID 63499386

IUPACN-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1c(Br)cccc1CNC1CC1
InChIInChI=1S/C17H17Br2NO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2
InChIKeyXQBJYKAWJGFTFH-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.04
Rot. Bonds6

About N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 63499386) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID63499386
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC NameN-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1c(Br)cccc1CNC1CC1
InChIInChI=1S/C17H17Br2NO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2
InChIKeyXQBJYKAWJGFTFH-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 61390985
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]cyclopropanamine
CID 115513176
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
2-[1-[[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65481504
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 63499386) is N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine is Brc1ccccc1COc1c(Br)cccc1CNC1CC1.
What is the InChIKey of N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is XQBJYKAWJGFTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2.
What are the key properties of N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 411.14 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63499386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).