N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine

C10H15BrN2 — CID 61286935

IUPACN-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCBr)CCc1ccncc1
InChIInChI=1S/C10H15BrN2/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyQNUVQKMFDOFCKQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP1.95
Rot. Bonds5

About N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine

N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 61286935) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID61286935
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCBr)CCc1ccncc1
InChIInChI=1S/C10H15BrN2/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyQNUVQKMFDOFCKQ-UHFFFAOYSA-N
XLogP1.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 86815162

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine (CID 61286935) is N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine is CN(CCBr)CCc1ccncc1.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is QNUVQKMFDOFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine?
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 243.15 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 61286935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).