(2-bromo-6-pentan-2-yloxyphenyl)methanamine

C12H18BrNO — CID 102980133

IUPAC(2-bromo-6-pentan-2-yloxyphenyl)methanamine
SMILESCCCC(C)Oc1cccc(Br)c1CN
InChIInChI=1S/C12H18BrNO/c1-3-5-9(2)15-12-7-4-6-11(13)10(12)8-14/h4,6-7,9H,3,5,8,14H2,1-2H3
InChIKeyBBHUYNUPHYTMRH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.48
Rot. Bonds5

About (2-bromo-6-pentan-2-yloxyphenyl)methanamine

(2-bromo-6-pentan-2-yloxyphenyl)methanamine (PubChem CID 102980133) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (2-bromo-6-pentan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-pentan-2-yloxyphenyl)methanamine
PubChem CID102980133
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(2-bromo-6-pentan-2-yloxyphenyl)methanamine
SMILESCCCC(C)Oc1cccc(Br)c1CN
InChIInChI=1S/C12H18BrNO/c1-3-5-9(2)15-12-7-4-6-11(13)10(12)8-14/h4,6-7,9H,3,5,8,14H2,1-2H3
InChIKeyBBHUYNUPHYTMRH-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-6-pentan-2-yloxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-1-chloro-3-pentan-2-yloxybenzene
CID 107896175
[2-bromo-6-(4-methylpentoxy)phenyl]methanamine
CID 114879902
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-pentan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-bromo-6-pentan-2-yloxyphenyl)methanamine (CID 102980133) is (2-bromo-6-pentan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-6-pentan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-bromo-6-pentan-2-yloxyphenyl)methanamine is CCCC(C)Oc1cccc(Br)c1CN.
What is the InChIKey of (2-bromo-6-pentan-2-yloxyphenyl)methanamine?
The InChIKey is BBHUYNUPHYTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-5-9(2)15-12-7-4-6-11(13)10(12)8-14/h4,6-7,9H,3,5,8,14H2,1-2H3.
What are the key properties of (2-bromo-6-pentan-2-yloxyphenyl)methanamine?
(2-bromo-6-pentan-2-yloxyphenyl)methanamine has a molecular weight of 272.19 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-pentan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 102980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).