(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine

C17H20BrNO — CID 105036012

IUPAC(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-13(16)17(19)14-11-12(2)8-9-15(14)18/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyZXTMSHARRBIWBB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.59
Rot. Bonds5

About (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine

(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105036012) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
PubChem CID105036012
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-13(16)17(19)14-11-12(2)8-9-15(14)18/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyZXTMSHARRBIWBB-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(6-methoxypyrimidin-4-yl)-(2-propoxyphenyl)methanamine
CID 102950546

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine (CID 105036012) is (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cc(C)ccc1Br.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is ZXTMSHARRBIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-13(16)17(19)14-11-12(2)8-9-15(14)18/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine?
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105036012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).