N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine

C14H14BrF3N2 — CID 107488634

IUPACN-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H14BrF3N2/c15-7-8-20(10-14(16,17)18)9-12-6-5-11-3-1-2-4-13(11)19-12/h1-6H,7-10H2
InChIKeyMTYNEUUWUDZFSF-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.99
Rot. Bonds5

About N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine

N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 107488634) has the molecular formula C14H14BrF3N2 and a molecular weight of 347.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID107488634
Molecular FormulaC14H14BrF3N2
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H14BrF3N2/c15-7-8-20(10-14(16,17)18)9-12-6-5-11-3-1-2-4-13(11)19-12/h1-6H,7-10H2
InChIKeyMTYNEUUWUDZFSF-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107488454
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
CID 89210421
CID 89210421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine (CID 107488634) is N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine is FC(F)(F)CN(CCBr)Cc1ccc2ccccc2n1.
What is the InChIKey of N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is MTYNEUUWUDZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2/c15-7-8-20(10-14(16,17)18)9-12-6-5-11-3-1-2-4-13(11)19-12/h1-6H,7-10H2.
What are the key properties of N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine?
N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 347.18 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 107488634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).