(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine

C11H14BrNO — CID 3340478

IUPAC(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
SMILESCOc1ccc(C(N)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-14-8-4-5-9(10(12)6-8)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3
InChIKeyWTENUHCQPVYRMA-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.87
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine

(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine (PubChem CID 3340478) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
PubChem CID3340478
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
SMILESCOc1ccc(C(N)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-14-8-4-5-9(10(12)6-8)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3
InChIKeyWTENUHCQPVYRMA-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892723
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
2-bromo-1-(1-chloro-2,2-dicyclopropylethyl)-4-methoxybenzene
CID 112745100
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine (CID 3340478) is (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine is COc1ccc(C(N)C2CC2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine?
The InChIKey is WTENUHCQPVYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-8-4-5-9(10(12)6-8)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine?
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine has a molecular weight of 256.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 3340478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).