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

C11H16BrNO — CID 84709439

IUPAC(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(C)C)c(Br)cc1CN
InChIInChI=1S/C11H16BrNO/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7H,6,13H2,1-3H3
InChIKeyJLXBSXMIGJNJRB-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.04
Rot. Bonds3

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

(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine (PubChem CID 84709439) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
PubChem CID84709439
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(C)C)c(Br)cc1CN
InChIInChI=1S/C11H16BrNO/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7H,6,13H2,1-3H3
InChIKeyJLXBSXMIGJNJRB-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
CID 84709781
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-2-one
CID 117459128
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)methanamine
CID 117465374
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine (CID 84709439) is (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine is COc1cc(C(C)C)c(Br)cc1CN.
What is the InChIKey of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine?
The InChIKey is JLXBSXMIGJNJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7H,6,13H2,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine?
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine has a molecular weight of 258.16 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 84709439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).