2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline

C17H20BrNO2 — CID 23250120

IUPAC2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline
SMILESCCc1c(Br)c(N)c(OCc2ccccc2)c(C)c1OC
InChIInChI=1S/C17H20BrNO2/c1-4-13-14(18)15(19)17(11(2)16(13)20-3)21-10-12-8-6-5-7-9-12/h5-9H,4,10,19H2,1-3H3
InChIKeyTUCAQXNMUKEWGA-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.49
Rot. Bonds5

About 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline

2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline (PubChem CID 23250120) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline.

Molecular Properties

Compound Name2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline
PubChem CID23250120
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline
SMILESCCc1c(Br)c(N)c(OCc2ccccc2)c(C)c1OC
InChIInChI=1S/C17H20BrNO2/c1-4-13-14(18)15(19)17(11(2)16(13)20-3)21-10-12-8-6-5-7-9-12/h5-9H,4,10,19H2,1-3H3
InChIKeyTUCAQXNMUKEWGA-UHFFFAOYSA-N
XLogP4.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
phenyl 5-bromo-4-(hydroxymethyl)-3-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 58493299
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 67638769
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline?
The IUPAC name of 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline (CID 23250120) is 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline.
What is the SMILES notation for 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline?
The canonical SMILES for 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline is CCc1c(Br)c(N)c(OCc2ccccc2)c(C)c1OC.
What is the InChIKey of 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline?
The InChIKey is TUCAQXNMUKEWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-13-14(18)15(19)17(11(2)16(13)20-3)21-10-12-8-6-5-7-9-12/h5-9H,4,10,19H2,1-3H3.
What are the key properties of 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline?
2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline has a molecular weight of 350.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline is sourced from PubChem (CID 23250120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).