3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol

C12H18BrNO — CID 79127279

IUPAC3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol
SMILESCCC(CN)C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-9(8-14)12(2,15)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8,14H2,1-2H3
InChIKeyUJBWUWVIKCXCHM-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.64
Rot. Bonds4

About 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol

3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol (PubChem CID 79127279) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol
PubChem CID79127279
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol
SMILESCCC(CN)C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-9(8-14)12(2,15)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8,14H2,1-2H3
InChIKeyUJBWUWVIKCXCHM-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol
CID 79135658
2-[1-(3-bromophenyl)-1-hydroxyethyl]pentanoic acid
CID 83042660
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
3-(3-bromophenyl)pentan-3-ol
CID 57443482
3-(3-bromophenyl)-5-ethylheptan-3-ol
CID 114079223
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
3-amino-2,2-bis(3-bromophenyl)propan-1-ol
CID 129196579
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol?
The IUPAC name of 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol (CID 79127279) is 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol is CCC(CN)C(C)(O)c1cccc(Br)c1.
What is the InChIKey of 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol?
The InChIKey is UJBWUWVIKCXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-9(8-14)12(2,15)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol?
3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol is sourced from PubChem (CID 79127279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).