4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline

C18H22BrNO — CID 63450033

IUPAC4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCOc1cc(Br)cc(C)c1NC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22BrNO/c1-12(2)17(14-8-6-5-7-9-14)20-18-13(3)10-15(19)11-16(18)21-4/h5-12,17,20H,1-4H3
InChIKeyAGRPQQZILRYTFB-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.58
Rot. Bonds5

About 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline

4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline (PubChem CID 63450033) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
PubChem CID63450033
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCOc1cc(Br)cc(C)c1NC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22BrNO/c1-12(2)17(14-8-6-5-7-9-14)20-18-13(3)10-15(19)11-16(18)21-4/h5-12,17,20H,1-4H3
InChIKeyAGRPQQZILRYTFB-UHFFFAOYSA-N
XLogP5.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
CID 114228199
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43755773
4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
CID 63449062

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline (CID 63450033) is 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline.
What is the SMILES notation for 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The canonical SMILES for 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline is COc1cc(Br)cc(C)c1NC(c1ccccc1)C(C)C.
What is the InChIKey of 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The InChIKey is AGRPQQZILRYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12(2)17(14-8-6-5-7-9-14)20-18-13(3)10-15(19)11-16(18)21-4/h5-12,17,20H,1-4H3.
What are the key properties of 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline?
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline has a molecular weight of 348.28 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline is sourced from PubChem (CID 63450033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).