(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine

C17H20BrNO — CID 43311344

IUPAC(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-4-20-16-8-6-13(18)10-15(16)17(19)14-7-5-11(2)9-12(14)3/h5-10,17H,4,19H2,1-3H3
InChIKeyPXTCZBQRVNNJSA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.51
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine

(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine (PubChem CID 43311344) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
PubChem CID43311344
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-4-20-16-8-6-13(18)10-15(16)17(19)14-7-5-11(2)9-12(14)3/h5-10,17H,4,19H2,1-3H3
InChIKeyPXTCZBQRVNNJSA-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 43311401
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 107958857
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
CID 80536380
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine (CID 43311344) is (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine is CCOc1ccc(Br)cc1C(N)c1ccc(C)cc1C.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is PXTCZBQRVNNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-16-8-6-13(18)10-15(16)17(19)14-7-5-11(2)9-12(14)3/h5-10,17H,4,19H2,1-3H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine?
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43311344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).