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

C17H20BrNO — CID 60787122

IUPACN-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(OC)cc1Br
InChIInChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyFWSNZJLSUGUZOB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.47
Rot. Bonds5

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

N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 60787122) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID60787122
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(OC)cc1Br
InChIInChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyFWSNZJLSUGUZOB-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-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003
N-[(2-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62514992
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (CID 60787122) is N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1ccc(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is FWSNZJLSUGUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(2-bromo-4-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-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 60787122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).