2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine

C17H28BrNO — CID 63508559

IUPAC2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CCOc1cccc(Br)c1)CNC(C)C
InChIInChI=1S/C17H28BrNO/c1-5-9-17(4,13-19-14(2)3)10-11-20-16-8-6-7-15(18)12-16/h6-8,12,14,19H,5,9-11,13H2,1-4H3
InChIKeyFEGMPWDEQNXBBF-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.02
Rot. Bonds9

About 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 63508559) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID63508559
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CCOc1cccc(Br)c1)CNC(C)C
InChIInChI=1S/C17H28BrNO/c1-5-9-17(4,13-19-14(2)3)10-11-20-16-8-6-7-15(18)12-16/h6-8,12,14,19H,5,9-11,13H2,1-4H3
InChIKeyFEGMPWDEQNXBBF-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
1-bromo-3-[3-(bromomethyl)-3-methylhexoxy]benzene
CID 66049343
N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
CID 63508914
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
1-bromo-3-[4-bromo-3-(bromomethyl)-3-methylbutoxy]benzene
CID 79453369
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
1-(3-bromophenoxy)-3,4-dimethylhexan-3-amine
CID 54971752
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 63508559) is 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CCOc1cccc(Br)c1)CNC(C)C.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is FEGMPWDEQNXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-5-9-17(4,13-19-14(2)3)10-11-20-16-8-6-7-15(18)12-16/h6-8,12,14,19H,5,9-11,13H2,1-4H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63508559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).