N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine

C15H24BrNO — CID 63457662

IUPACN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)CCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-12(2)10-13(3)17(4)8-9-18-15-7-5-6-14(16)11-15/h5-7,11-13H,8-10H2,1-4H3
InChIKeySWJXHOJRSZFINL-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.19
Rot. Bonds7

About N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine

N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine (PubChem CID 63457662) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
PubChem CID63457662
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)CCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-12(2)10-13(3)17(4)8-9-18-15-7-5-6-14(16)11-15/h5-7,11-13H,8-10H2,1-4H3
InChIKeySWJXHOJRSZFINL-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
CID 55026914
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine (CID 63457662) is N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)CCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine?
The InChIKey is SWJXHOJRSZFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(2)10-13(3)17(4)8-9-18-15-7-5-6-14(16)11-15/h5-7,11-13H,8-10H2,1-4H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine?
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63457662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).