1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine

C18H22BrNO — CID 65327325

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
SMILESCCc1ccc(C(C)(N)Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C18H22BrNO/c1-4-13-5-7-15(8-6-13)18(2,20)12-14-11-16(21-3)9-10-17(14)19/h5-11H,4,12,20H2,1-3H3
InChIKeyLCFLMPHDVGNUCC-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine

1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine (PubChem CID 65327325) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
PubChem CID65327325
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
SMILESCCc1ccc(C(C)(N)Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C18H22BrNO/c1-4-13-5-7-15(8-6-13)18(2,20)12-14-11-16(21-3)9-10-17(14)19/h5-11H,4,12,20H2,1-3H3
InChIKeyLCFLMPHDVGNUCC-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
CID 65327715
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
CID 65327261
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine (CID 65327325) is 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine is CCc1ccc(C(C)(N)Cc2cc(OC)ccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine?
The InChIKey is LCFLMPHDVGNUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-13-5-7-15(8-6-13)18(2,20)12-14-11-16(21-3)9-10-17(14)19/h5-11H,4,12,20H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine?
1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine is sourced from PubChem (CID 65327325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).