N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine

C16H26BrNO — CID 55026914

IUPACN-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)CCOc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-5-10-18(11-6-4-2)12-13-19-16-9-7-8-15(17)14-16/h7-9,14H,3-6,10-13H2,1-2H3
InChIKeyAGHRKBPUPSBDDS-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.73
Rot. Bonds10

About N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine

N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine (PubChem CID 55026914) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
PubChem CID55026914
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)CCOc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-5-10-18(11-6-4-2)12-13-19-16-9-7-8-15(17)14-16/h7-9,14H,3-6,10-13H2,1-2H3
InChIKeyAGHRKBPUPSBDDS-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-ethoxybenzene;ethane
CID 143900364
N-(2-chloroethyl)-N-(2-phenoxyethyl)butan-1-amine
CID 63388991
1-bromo-3-[3-(bromomethyl)-3-methylhexoxy]benzene
CID 66049343
3-[butyl-[2-(3-methylphenoxy)ethyl]amino]propanoic acid
CID 82329411
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
4-[3-[2-(dibutylamino)ethoxy]phenyl]sulfanylbenzene-1,2-diamine
CID 21451782
2-[2-(3-bromophenoxy)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425881
1-bromo-3-[4-bromo-3-(bromomethyl)-3-methylbutoxy]benzene
CID 79453369
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
CID 8792071

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine (CID 55026914) is N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine is CCCCN(CCCC)CCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine?
The InChIKey is AGHRKBPUPSBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-5-10-18(11-6-4-2)12-13-19-16-9-7-8-15(17)14-16/h7-9,14H,3-6,10-13H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine?
N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.73, 10 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-butylbutan-1-amine is sourced from PubChem (CID 55026914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).