2-(4-bromophenyl)-N,N-dimethylethanamine

C10H14BrN — CID 10751802

IUPAC2-(4-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRWCMKTSVOYKLQY-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.55
Rot. Bonds3

About 2-(4-bromophenyl)-N,N-dimethylethanamine

2-(4-bromophenyl)-N,N-dimethylethanamine (PubChem CID 10751802) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,N-dimethylethanamine
PubChem CID10751802
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-(4-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRWCMKTSVOYKLQY-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethanamine (CID 10751802) is 2-(4-bromophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N,N-dimethylethanamine is CN(C)CCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,N-dimethylethanamine?
The InChIKey is RWCMKTSVOYKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N,N-dimethylethanamine?
2-(4-bromophenyl)-N,N-dimethylethanamine has a molecular weight of 228.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 10751802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).