N-(3-bromopropyl)-N-methylaniline

C10H14BrN — CID 61288549

IUPACN-(3-bromopropyl)-N-methylaniline
SMILESCN(CCCBr)c1ccccc1
InChIInChI=1S/C10H14BrN/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYWVIBERYLABRBJ-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.91
Rot. Bonds4

About N-(3-bromopropyl)-N-methylaniline

N-(3-bromopropyl)-N-methylaniline (PubChem CID 61288549) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methylaniline.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methylaniline
PubChem CID61288549
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC NameN-(3-bromopropyl)-N-methylaniline
SMILESCN(CCCBr)c1ccccc1
InChIInChI=1S/C10H14BrN/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYWVIBERYLABRBJ-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.91
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-(3-bromopropyl)-N-methylaniline?
The IUPAC name of N-(3-bromopropyl)-N-methylaniline (CID 61288549) is N-(3-bromopropyl)-N-methylaniline.
What is the SMILES notation for N-(3-bromopropyl)-N-methylaniline?
The canonical SMILES for N-(3-bromopropyl)-N-methylaniline is CN(CCCBr)c1ccccc1.
What is the InChIKey of N-(3-bromopropyl)-N-methylaniline?
The InChIKey is YWVIBERYLABRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methylaniline?
N-(3-bromopropyl)-N-methylaniline has a molecular weight of 228.13 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methylaniline is sourced from PubChem (CID 61288549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).