2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol

C12H18BrNO — CID 116945676

IUPAC2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(N)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)11(7-15)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3
InChIKeyFADBJITUFPOEMF-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.71
Rot. Bonds4

About 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol

2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116945676) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
PubChem CID116945676
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(N)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)11(7-15)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3
InChIKeyFADBJITUFPOEMF-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
4-(3-bromophenyl)pentan-2-amine
CID 83912731
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol (CID 116945676) is 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)C(N)c1cccc(Br)c1.
What is the InChIKey of 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is FADBJITUFPOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)11(7-15)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3.
What are the key properties of 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol?
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).