4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

C14H14Br2N2 — CID 114061506

IUPAC4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1ccc(Br)cc1CBr
InChIInChI=1S/C14H14Br2N2/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(16)8-11(14)9-15/h2-8H,9-10H2,1H3
InChIKeyKLFOZTFKCWUYLA-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.38
Rot. Bonds4

About 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 114061506) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID114061506
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1ccc(Br)cc1CBr
InChIInChI=1S/C14H14Br2N2/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(16)8-11(14)9-15/h2-8H,9-10H2,1H3
InChIKeyKLFOZTFKCWUYLA-UHFFFAOYSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.38
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

5-bromo-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114891368
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-bromo-N-methylaniline
CID 71033744
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
CID 55183198
(E)-3-[4-bromo-2-[methyl(pyridin-2-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 43565254
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 114061506) is 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is CN(Cc1ccccn1)c1ccc(Br)cc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is KLFOZTFKCWUYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(16)8-11(14)9-15/h2-8H,9-10H2,1H3.
What are the key properties of 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 370.09 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 114061506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).