4-bromo-2-methyl-6-phenylmethoxyaniline

C14H14BrNO — CID 58826330

IUPAC4-bromo-2-methyl-6-phenylmethoxyaniline
SMILESCc1cc(Br)cc(OCc2ccccc2)c1N
InChIInChI=1S/C14H14BrNO/c1-10-7-12(15)8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyKGZFHXMRKIQITQ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-2-methyl-6-phenylmethoxyaniline

4-bromo-2-methyl-6-phenylmethoxyaniline (PubChem CID 58826330) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-phenylmethoxyaniline.

Molecular Properties

Compound Name4-bromo-2-methyl-6-phenylmethoxyaniline
PubChem CID58826330
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name4-bromo-2-methyl-6-phenylmethoxyaniline
SMILESCc1cc(Br)cc(OCc2ccccc2)c1N
InChIInChI=1S/C14H14BrNO/c1-10-7-12(15)8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyKGZFHXMRKIQITQ-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

5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
CID 150465716
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
5-bromo-1-methyl-7-phenylmethoxybenzotriazole
CID 162414576
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-bromo-5-methyl-7-phenylmethoxy-1H-indole
CID 59898831

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-phenylmethoxyaniline?
The IUPAC name of 4-bromo-2-methyl-6-phenylmethoxyaniline (CID 58826330) is 4-bromo-2-methyl-6-phenylmethoxyaniline.
What is the SMILES notation for 4-bromo-2-methyl-6-phenylmethoxyaniline?
The canonical SMILES for 4-bromo-2-methyl-6-phenylmethoxyaniline is Cc1cc(Br)cc(OCc2ccccc2)c1N.
What is the InChIKey of 4-bromo-2-methyl-6-phenylmethoxyaniline?
The InChIKey is KGZFHXMRKIQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-7-12(15)8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-phenylmethoxyaniline?
4-bromo-2-methyl-6-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 4-bromo-2-methyl-6-phenylmethoxyaniline is sourced from PubChem (CID 58826330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).