N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

C16H26BrNO — CID 107891006

IUPACN-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1c(Br)cccc1CNC(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-8-12(2)19-15-13(9-7-10-14(15)17)11-18-16(3,4)5/h7,9-10,12,18H,6,8,11H2,1-5H3
InChIKeyHLNWQRMMDFAXDK-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.90
Rot. Bonds6

About N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107891006) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID107891006
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1c(Br)cccc1CNC(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-8-12(2)19-15-13(9-7-10-14(15)17)11-18-16(3,4)5/h7,9-10,12,18H,6,8,11H2,1-5H3
InChIKeyHLNWQRMMDFAXDK-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
N-[[3-bromo-2-(2-ethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 82925959
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
N-[[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114471631
N-[[3-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983268
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 55192516
N-[[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63059040

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (CID 107891006) is N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is CCCC(C)Oc1c(Br)cccc1CNC(C)(C)C.
What is the InChIKey of N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is HLNWQRMMDFAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-8-12(2)19-15-13(9-7-10-14(15)17)11-18-16(3,4)5/h7,9-10,12,18H,6,8,11H2,1-5H3.
What are the key properties of N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107891006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).