3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol

C13H20BrNO — CID 79126815

IUPAC3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)(CN)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-12(2,9-15)13(3,16)10-5-7-11(14)8-6-10/h5-8,16H,4,9,15H2,1-3H3
InChIKeyWUKCIROZUPHJRF-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.03
Rot. Bonds4

About 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol

3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol (PubChem CID 79126815) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
PubChem CID79126815
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)(CN)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-12(2,9-15)13(3,16)10-5-7-11(14)8-6-10/h5-8,16H,4,9,15H2,1-3H3
InChIKeyWUKCIROZUPHJRF-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
CID 46217912
2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
CID 83748925
ethyl 3-(4-bromophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397381
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520
3-(aminomethyl)-3-(4-bromophenyl)pentanoic acid
CID 66096424
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
CID 86730298

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol (CID 79126815) is 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol is CCC(C)(CN)C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol?
The InChIKey is WUKCIROZUPHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-12(2,9-15)13(3,16)10-5-7-11(14)8-6-10/h5-8,16H,4,9,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol?
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 79126815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).