3-bromo-5-methyl-4-phenylmethoxyaniline

C14H14BrNO — CID 142435992

IUPAC3-bromo-5-methyl-4-phenylmethoxyaniline
SMILESCc1cc(N)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyAMGLLLYBWLEKAC-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.92
Rot. Bonds3

About 3-bromo-5-methyl-4-phenylmethoxyaniline

3-bromo-5-methyl-4-phenylmethoxyaniline (PubChem CID 142435992) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-4-phenylmethoxyaniline.

Molecular Properties

Compound Name3-bromo-5-methyl-4-phenylmethoxyaniline
PubChem CID142435992
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-bromo-5-methyl-4-phenylmethoxyaniline
SMILESCc1cc(N)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyAMGLLLYBWLEKAC-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
CID 63404203
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
3,5-dibromo-4-[(2,4,6-trimethylphenyl)methoxy]aniline
CID 63404158
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-4-phenylmethoxyaniline?
The IUPAC name of 3-bromo-5-methyl-4-phenylmethoxyaniline (CID 142435992) is 3-bromo-5-methyl-4-phenylmethoxyaniline.
What is the SMILES notation for 3-bromo-5-methyl-4-phenylmethoxyaniline?
The canonical SMILES for 3-bromo-5-methyl-4-phenylmethoxyaniline is Cc1cc(N)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 3-bromo-5-methyl-4-phenylmethoxyaniline?
The InChIKey is AMGLLLYBWLEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 3-bromo-5-methyl-4-phenylmethoxyaniline?
3-bromo-5-methyl-4-phenylmethoxyaniline has a molecular weight of 292.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-4-phenylmethoxyaniline is sourced from PubChem (CID 142435992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).