N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine

C11H16BrN — CID 81110490

IUPACN-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(Br)c(CNC(C)C)c1
InChIInChI=1S/C11H16BrN/c1-8(2)13-7-10-6-9(3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyUUUOJTDPSNISSC-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.26
Rot. Bonds3

About N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine

N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine (PubChem CID 81110490) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
PubChem CID81110490
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(Br)c(CNC(C)C)c1
InChIInChI=1S/C11H16BrN/c1-8(2)13-7-10-6-9(3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyUUUOJTDPSNISSC-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409096
N-[(2-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405437
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355551
N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 114054861
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 66160523
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 81109555

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine (CID 81110490) is N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine is Cc1ccc(Br)c(CNC(C)C)c1.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine?
The InChIKey is UUUOJTDPSNISSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8(2)13-7-10-6-9(3)4-5-11(10)12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine?
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 81110490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).