(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine

C11H16BrNO2 — CID 16637954

IUPAC(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
SMILESCOc1cc(Br)c(CN)cc1OC(C)C
InChIInChI=1S/C11H16BrNO2/c1-7(2)15-11-4-8(6-13)9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3
InChIKeyLPZQSQWQTGMRDD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.70
Rot. Bonds4

About (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine

(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine (PubChem CID 16637954) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
PubChem CID16637954
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
SMILESCOc1cc(Br)c(CN)cc1OC(C)C
InChIInChI=1S/C11H16BrNO2/c1-7(2)15-11-4-8(6-13)9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3
InChIKeyLPZQSQWQTGMRDD-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
2-(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetonitrile
CID 84812805
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]heptan-1-amine
CID 66535665
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2,4-dichloroaniline
CID 66542996
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
5-(aminomethyl)-4-bromo-2-methoxybenzonitrile
CID 171014235

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine (CID 16637954) is (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine is COc1cc(Br)c(CN)cc1OC(C)C.
What is the InChIKey of (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine?
The InChIKey is LPZQSQWQTGMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7(2)15-11-4-8(6-13)9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3.
What are the key properties of (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine?
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine has a molecular weight of 274.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 16637954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).