N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine

C17H20BrNO — CID 43487907

IUPACN-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Br)ccc1OC
InChIInChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyXZQLYOLJPUIVCK-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.47
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine

N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 43487907) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID43487907
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Br)ccc1OC
InChIInChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyXZQLYOLJPUIVCK-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016507
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (CID 43487907) is N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is XZQLYOLJPUIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).