2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine

C16H26BrNO — CID 83043988

IUPAC2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccc(C)cc1Br
InChIInChI=1S/C16H26BrNO/c1-6-7-13(11-18-16(3,4)5)19-15-9-8-12(2)10-14(15)17/h8-10,13,18H,6-7,11H2,1-5H3
InChIKeyGVNJUKPDHCBYPC-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine

2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine (PubChem CID 83043988) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
PubChem CID83043988
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccc(C)cc1Br
InChIInChI=1S/C16H26BrNO/c1-6-7-13(11-18-16(3,4)5)19-15-9-8-12(2)10-14(15)17/h8-10,13,18H,6-7,11H2,1-5H3
InChIKeyGVNJUKPDHCBYPC-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
3-(2-bromo-4-methylphenoxy)pentanenitrile
CID 43368073
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine (CID 83043988) is 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine is CCCC(CNC(C)(C)C)Oc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine?
The InChIKey is GVNJUKPDHCBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-7-13(11-18-16(3,4)5)19-15-9-8-12(2)10-14(15)17/h8-10,13,18H,6-7,11H2,1-5H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine?
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine is sourced from PubChem (CID 83043988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).