(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine

C17H20BrNO — CID 105019095

IUPAC(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(OC(C)C)c2)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11(2)20-14-6-4-5-13(10-14)17(19)15-8-7-12(3)9-16(15)18/h4-11,17H,19H2,1-3H3
InChIKeyJPEOUWHYQFJCJJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.59
Rot. Bonds4

About (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine

(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105019095) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105019095
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(OC(C)C)c2)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11(2)20-14-6-4-5-13(10-14)17(19)15-8-7-12(3)9-16(15)18/h4-11,17H,19H2,1-3H3
InChIKeyJPEOUWHYQFJCJJ-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304109
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 105019095) is (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine is Cc1ccc(C(N)c2cccc(OC(C)C)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is JPEOUWHYQFJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11(2)20-14-6-4-5-13(10-14)17(19)15-8-7-12(3)9-16(15)18/h4-11,17H,19H2,1-3H3.
What are the key properties of (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).