2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine

C17H28BrNO — CID 63497455

IUPAC2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CCOc1cccc(Br)c1)CNC(C)C
InChIInChI=1S/C17H28BrNO/c1-13(2)10-15(12-19-14(3)4)8-9-20-17-7-5-6-16(18)11-17/h5-7,11,13-15,19H,8-10,12H2,1-4H3
InChIKeyJLBRPCYRNZYEDE-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.88
Rot. Bonds9

About 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine

2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 63497455) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID63497455
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CCOc1cccc(Br)c1)CNC(C)C
InChIInChI=1S/C17H28BrNO/c1-13(2)10-15(12-19-14(3)4)8-9-20-17-7-5-6-16(18)11-17/h5-7,11,13-15,19H,8-10,12H2,1-4H3
InChIKeyJLBRPCYRNZYEDE-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62529307
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62530501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine (CID 63497455) is 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CC(CCOc1cccc(Br)c1)CNC(C)C.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is JLBRPCYRNZYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-13(2)10-15(12-19-14(3)4)8-9-20-17-7-5-6-16(18)11-17/h5-7,11,13-15,19H,8-10,12H2,1-4H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine?
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.88, 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]-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63497455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).