[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine

C15H16BrNO2 — CID 43531130

IUPAC[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2
InChIKeyNFMROGBDUFNSJR-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.37
Rot. Bonds6

About [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine

[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine (PubChem CID 43531130) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
PubChem CID43531130
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2
InChIKeyNFMROGBDUFNSJR-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[4-[3-(3-bromophenyl)sulfanylpropoxy]phenyl]methanamine
CID 62804971
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
[4-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
CID 64698467
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine (CID 43531130) is [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine is NCc1ccc(OCCOc2cccc(Br)c2)cc1.
What is the InChIKey of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is NFMROGBDUFNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2.
What are the key properties of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine?
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43531130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).