4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine

C17H28BrNO — CID 65306401

IUPAC4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(CCC(C)(C)CNCC(C)C)c(Br)c1
InChIInChI=1S/C17H28BrNO/c1-13(2)11-19-12-17(3,4)9-8-14-6-7-15(20-5)10-16(14)18/h6-7,10,13,19H,8-9,11-12H2,1-5H3
InChIKeyGGDRZIAEKNCBAJ-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.66
Rot. Bonds8

About 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 65306401) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID65306401
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(CCC(C)(C)CNCC(C)C)c(Br)c1
InChIInChI=1S/C17H28BrNO/c1-13(2)11-19-12-17(3,4)9-8-14-6-7-15(20-5)10-16(14)18/h6-7,10,13,19H,8-9,11-12H2,1-5H3
InChIKeyGGDRZIAEKNCBAJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65433588
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448
3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
CID 21039854
2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65308875
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 65306401) is 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine is COc1ccc(CCC(C)(C)CNCC(C)C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GGDRZIAEKNCBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-13(2)11-19-12-17(3,4)9-8-14-6-7-15(20-5)10-16(14)18/h6-7,10,13,19H,8-9,11-12H2,1-5H3.
What are the key properties of 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 65306401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).