3-(4-bromophenoxy)pentan-1-amine

C11H16BrNO — CID 43531083

IUPAC3-(4-bromophenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-2-10(7-8-13)14-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyAFNOTJMLAMKTDB-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-bromophenoxy)pentan-1-amine

3-(4-bromophenoxy)pentan-1-amine (PubChem CID 43531083) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(4-bromophenoxy)pentan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)pentan-1-amine
PubChem CID43531083
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(4-bromophenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-2-10(7-8-13)14-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyAFNOTJMLAMKTDB-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
[3-acetyloxy-2-(4-bromophenoxy)propyl] acetate
CID 125479775
5-naphthalen-2-yloxyheptan-1-amine
CID 68866838
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
1-bromo-4-(1-bromoethoxy)benzene
CID 68938279
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)pentan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)pentan-1-amine (CID 43531083) is 3-(4-bromophenoxy)pentan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)pentan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)pentan-1-amine is CCC(CCN)Oc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)pentan-1-amine?
The InChIKey is AFNOTJMLAMKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-10(7-8-13)14-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 3-(4-bromophenoxy)pentan-1-amine?
3-(4-bromophenoxy)pentan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)pentan-1-amine is sourced from PubChem (CID 43531083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).