2-[(2-bromophenoxy)methyl]pentan-1-amine

C12H18BrNO — CID 117241854

IUPAC2-[(2-bromophenoxy)methyl]pentan-1-amine
SMILESCCCC(CN)COc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-2-5-10(8-14)9-15-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9,14H2,1H3
InChIKeyMLIPOFGJWVEGRM-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.20
Rot. Bonds6

About 2-[(2-bromophenoxy)methyl]pentan-1-amine

2-[(2-bromophenoxy)methyl]pentan-1-amine (PubChem CID 117241854) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]pentan-1-amine
PubChem CID117241854
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(2-bromophenoxy)methyl]pentan-1-amine
SMILESCCCC(CN)COc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-2-5-10(8-14)9-15-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9,14H2,1H3
InChIKeyMLIPOFGJWVEGRM-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
(2-bromophenoxy)methanamine
CID 57278354
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
2-[2-(aminomethyl)butoxy]phenol
CID 117241870
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
2-(pyridin-3-yloxymethyl)pentan-1-amine
CID 117241997
1-bromo-2-hexan-3-yloxybenzene
CID 66986707
1-bromo-2-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611005
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]pentan-1-amine?
The IUPAC name of 2-[(2-bromophenoxy)methyl]pentan-1-amine (CID 117241854) is 2-[(2-bromophenoxy)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]pentan-1-amine?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]pentan-1-amine is CCCC(CN)COc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]pentan-1-amine?
The InChIKey is MLIPOFGJWVEGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-5-10(8-14)9-15-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9,14H2,1H3.
What are the key properties of 2-[(2-bromophenoxy)methyl]pentan-1-amine?
2-[(2-bromophenoxy)methyl]pentan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]pentan-1-amine is sourced from PubChem (CID 117241854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).