1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol

C15H21Br2NO2 — CID 107741315

IUPAC1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
SMILESNCc1cc(Br)c(OCC(O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C15H21Br2NO2/c16-13-6-11(8-18)7-14(17)15(13)20-9-12(19)5-10-3-1-2-4-10/h6-7,10,12,19H,1-5,8-9,18H2
InChIKeyJQFZZMRATBHJEI-UHFFFAOYSA-N
MW407.15 g/mol
LogP3.99
Rot. Bonds6

About 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol

1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol (PubChem CID 107741315) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
PubChem CID107741315
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC Name1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
SMILESNCc1cc(Br)c(OCC(O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C15H21Br2NO2/c16-13-6-11(8-18)7-14(17)15(13)20-9-12(19)5-10-3-1-2-4-10/h6-7,10,12,19H,1-5,8-9,18H2
InChIKeyJQFZZMRATBHJEI-UHFFFAOYSA-N
XLogP3.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-butoxypropan-2-ol
CID 107741471
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-cyclopentylpropan-2-ol
CID 103160498
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156520
3,5-dichloro-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158696
3-bromo-4-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158705
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-3-methoxypropan-2-ol
CID 63929810
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol (CID 107741315) is 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol is NCc1cc(Br)c(OCC(O)CC2CCCC2)c(Br)c1.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol?
The InChIKey is JQFZZMRATBHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c16-13-6-11(8-18)7-14(17)15(13)20-9-12(19)5-10-3-1-2-4-10/h6-7,10,12,19H,1-5,8-9,18H2.
What are the key properties of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol?
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol has a molecular weight of 407.15 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 107741315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).