1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine

C14H14BrFN2 — CID 54971683

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccccn1
InChIInChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-14(16)13(15)8-11/h2-8H,9-10H2,1H3
InChIKeyGFTPELYHFICJJO-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine

1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 54971683) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID54971683
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccccn1
InChIInChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-14(16)13(15)8-11/h2-8H,9-10H2,1H3
InChIKeyGFTPELYHFICJJO-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 102769753
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine (CID 54971683) is 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccc(F)c(Br)c1)Cc1ccccn1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is GFTPELYHFICJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-14(16)13(15)8-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 309.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 54971683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).