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

C12H18BrN — CID 82648119

IUPACN-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(Br)cc1CCNC(C)C
InChIInChI=1S/C12H18BrN/c1-9(2)14-7-6-11-8-12(13)5-4-10(11)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyAMTYTXYCUNRQBE-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.30
Rot. Bonds4

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

N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine (PubChem CID 82648119) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
PubChem CID82648119
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(Br)cc1CCNC(C)C
InChIInChI=1S/C12H18BrN/c1-9(2)14-7-6-11-8-12(13)5-4-10(11)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyAMTYTXYCUNRQBE-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine (CID 82648119) is N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine is Cc1ccc(Br)cc1CCNC(C)C.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is AMTYTXYCUNRQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-9(2)14-7-6-11-8-12(13)5-4-10(11)3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine?
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 82648119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).