N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine

C16H18BrNO — CID 43488692

IUPACN-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccccc1OC
InChIInChI=1S/C16H18BrNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyAIBNUAKDXZLFOH-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.16
Rot. Bonds5

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

N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 43488692) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID43488692
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccccc1OC
InChIInChI=1S/C16H18BrNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyAIBNUAKDXZLFOH-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43491687
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methyl]ethanamine
CID 43491773
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 43488692) is N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1ccccc1OC.
What is the InChIKey of N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is AIBNUAKDXZLFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43488692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).