(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C17H20BrNO — CID 105032843

IUPAC(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)cc(Br)c2)cc1C
InChIInChI=1S/C17H20BrNO/c1-10-5-13(9-14(18)6-10)17(19)15-7-12(3)16(20-4)8-11(15)2/h5-9,17H,19H2,1-4H3
InChIKeyKHAILHUTANCMQG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.43
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032843) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032843
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)cc(Br)c2)cc1C
InChIInChI=1S/C17H20BrNO/c1-10-5-13(9-14(18)6-10)17(19)15-7-12(3)16(20-4)8-11(15)2/h5-9,17H,19H2,1-4H3
InChIKeyKHAILHUTANCMQG-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105056613
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032843) is (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(C)cc(Br)c2)cc1C.
What is the InChIKey of (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is KHAILHUTANCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-10-5-13(9-14(18)6-10)17(19)15-7-12(3)16(20-4)8-11(15)2/h5-9,17H,19H2,1-4H3.
What are the key properties of (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).