2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol

C12H18BrNO — CID 79412864

IUPAC2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-2-4-10(8-14)12(15)9-5-3-6-11(13)7-9/h3,5-7,10,12,15H,2,4,8,14H2,1H3
InChIKeyAOPBHZNKJAJMPS-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.86
Rot. Bonds5

About 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol

2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol (PubChem CID 79412864) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
PubChem CID79412864
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-2-4-10(8-14)12(15)9-5-3-6-11(13)7-9/h3,5-7,10,12,15H,2,4,8,14H2,1H3
InChIKeyAOPBHZNKJAJMPS-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
CID 107955051
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
1-phenyl-2-propylpentan-1-ol
CID 82987900
2-(aminomethyl)-1-[4-(dimethylamino)phenyl]pentan-1-ol
CID 79415929

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol (CID 79412864) is 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol is CCCC(CN)C(O)c1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol?
The InChIKey is AOPBHZNKJAJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-4-10(8-14)12(15)9-5-3-6-11(13)7-9/h3,5-7,10,12,15H,2,4,8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol?
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol is sourced from PubChem (CID 79412864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).