[3-(4-bromophenoxy)-4-methylphenyl]methanamine

C14H14BrNO — CID 105406673

IUPAC[3-(4-bromophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-3-11(9-16)8-14(10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyJNDAXFHUDIVIGL-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.01
Rot. Bonds3

About [3-(4-bromophenoxy)-4-methylphenyl]methanamine

[3-(4-bromophenoxy)-4-methylphenyl]methanamine (PubChem CID 105406673) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is [3-(4-bromophenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenoxy)-4-methylphenyl]methanamine
PubChem CID105406673
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name[3-(4-bromophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-3-11(9-16)8-14(10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyJNDAXFHUDIVIGL-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(4-bromophenoxy)-4-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-4-(chloromethyl)-1-methylbenzene
CID 105405984
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
1-(4-bromophenoxy)-4-(chloromethyl)-2-methylbenzene
CID 63565881
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(4-bromophenoxy)-4-methylphenyl]methanamine (CID 105406673) is [3-(4-bromophenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(4-bromophenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(4-bromophenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1Oc1ccc(Br)cc1.
What is the InChIKey of [3-(4-bromophenoxy)-4-methylphenyl]methanamine?
The InChIKey is JNDAXFHUDIVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-2-3-11(9-16)8-14(10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3.
What are the key properties of [3-(4-bromophenoxy)-4-methylphenyl]methanamine?
[3-(4-bromophenoxy)-4-methylphenyl]methanamine has a molecular weight of 292.18 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 105406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).