N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine

C11H14BrNO — CID 43163816

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(CNC2CC2)c1
InChIInChI=1S/C11H14BrNO/c1-14-10-4-5-11(12)8(6-10)7-13-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3
InChIKeyCQYCGEPAJBICEV-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.71
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine

N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 43163816) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
PubChem CID43163816
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(CNC2CC2)c1
InChIInChI=1S/C11H14BrNO/c1-14-10-4-5-11(12)8(6-10)7-13-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3
InChIKeyCQYCGEPAJBICEV-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177897
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83159794
N-[(2-bromo-5-pent-3-ynoxyphenyl)methyl]cyclopropanamine
CID 104805382
3-[[4-bromo-3-[(cyclopropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492228
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine (CID 43163816) is N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine is COc1ccc(Br)c(CNC2CC2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is CQYCGEPAJBICEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-10-4-5-11(12)8(6-10)7-13-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 256.14 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43163816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).