(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine

C16H17Br2NO — CID 107979822

IUPAC(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H17Br2NO/c1-3-20-15-5-4-10(2)6-14(15)16(19)11-7-12(17)9-13(18)8-11/h4-9,16H,3,19H2,1-2H3
InChIKeyXBCLTSIIDXGWOY-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.97
Rot. Bonds4

About (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine

(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine (PubChem CID 107979822) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
PubChem CID107979822
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H17Br2NO/c1-3-20-15-5-4-10(2)6-14(15)16(19)11-7-12(17)9-13(18)8-11/h4-9,16H,3,19H2,1-2H3
InChIKeyXBCLTSIIDXGWOY-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
CID 80536380
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 62302991
1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 107958857
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43311398
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine (CID 107979822) is (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine is CCOc1ccc(C)cc1C(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The InChIKey is XBCLTSIIDXGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-20-15-5-4-10(2)6-14(15)16(19)11-7-12(17)9-13(18)8-11/h4-9,16H,3,19H2,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine has a molecular weight of 399.13 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 107979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).