4-(bromomethyl)-N,N-dimethylaniline

C9H12BrN — CID 19894593

IUPAC4-(bromomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CBr)cc1
InChIInChI=1S/C9H12BrN/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3
InChIKeyRRVJPTGJHFAJKD-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.65
Rot. Bonds2

About 4-(bromomethyl)-N,N-dimethylaniline

4-(bromomethyl)-N,N-dimethylaniline (PubChem CID 19894593) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 4-(bromomethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N,N-dimethylaniline
PubChem CID19894593
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name4-(bromomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CBr)cc1
InChIInChI=1S/C9H12BrN/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3
InChIKeyRRVJPTGJHFAJKD-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(bromomethyl)-N,N-dimethylaniline (CID 19894593) is 4-(bromomethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(bromomethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(bromomethyl)-N,N-dimethylaniline is CN(C)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N,N-dimethylaniline?
The InChIKey is RRVJPTGJHFAJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N,N-dimethylaniline?
4-(bromomethyl)-N,N-dimethylaniline has a molecular weight of 214.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,N-dimethylaniline is sourced from PubChem (CID 19894593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).