1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine

C16H26BrNO — CID 65439926

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCOc1cc(C)c(Br)cc1C(N)CC(C)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8,18H2,1-6H3
InChIKeyCYUHVNHDBLBHKI-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.84
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine

1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine (PubChem CID 65439926) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
PubChem CID65439926
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCOc1cc(C)c(Br)cc1C(N)CC(C)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8,18H2,1-6H3
InChIKeyCYUHVNHDBLBHKI-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene
CID 65434345
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
CID 65433741
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545
methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-4,5-dimethoxybenzene
CID 63832973
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660994
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine (CID 65439926) is 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine is COc1cc(C)c(Br)cc1C(N)CC(C)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is CYUHVNHDBLBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8,18H2,1-6H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine?
1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 65439926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).