N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine

C11H16BrN — CID 964815

IUPACN-[(3-bromophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOZSYRXACIOOTAA-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.19
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine

N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 964815) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methylpropan-1-amine
PubChem CID964815
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOZSYRXACIOOTAA-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine (CID 964815) is N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is OZSYRXACIOOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine?
N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 964815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).