N,N-bis(2-bromoethyl)aniline

C10H13Br2N — CID 16284

IUPACN,N-bis(2-bromoethyl)aniline
SMILESBrCCN(CCBr)c1ccccc1
InChIInChI=1S/C10H13Br2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyLTZFEVFXIMXNRW-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.28
Rot. Bonds5

About N,N-bis(2-bromoethyl)aniline

N,N-bis(2-bromoethyl)aniline (PubChem CID 16284) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is N,N-bis(2-bromoethyl)aniline.

Molecular Properties

Compound NameN,N-bis(2-bromoethyl)aniline
PubChem CID16284
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC NameN,N-bis(2-bromoethyl)aniline
SMILESBrCCN(CCBr)c1ccccc1
InChIInChI=1S/C10H13Br2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyLTZFEVFXIMXNRW-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-bromoethyl)aniline?
The IUPAC name of N,N-bis(2-bromoethyl)aniline (CID 16284) is N,N-bis(2-bromoethyl)aniline.
What is the SMILES notation for N,N-bis(2-bromoethyl)aniline?
The canonical SMILES for N,N-bis(2-bromoethyl)aniline is BrCCN(CCBr)c1ccccc1.
What is the InChIKey of N,N-bis(2-bromoethyl)aniline?
The InChIKey is LTZFEVFXIMXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of N,N-bis(2-bromoethyl)aniline?
N,N-bis(2-bromoethyl)aniline has a molecular weight of 307.03 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-bromoethyl)aniline is sourced from PubChem (CID 16284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).