N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline

C12H17FN2 — CID 115207341

IUPACN-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2CNC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-5-11(3-4-12(9)13)15(2)8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyUZMARTOAHPQKAU-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.79
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline

N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline (PubChem CID 115207341) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
PubChem CID115207341
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2CNC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-5-11(3-4-12(9)13)15(2)8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyUZMARTOAHPQKAU-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
2-[(4-fluoro-N,3-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221370
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
N-(2-chloroethyl)-4-fluoro-N,3-dimethylaniline
CID 115214678
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431
N-(azetidin-3-ylmethyl)-N-methyl-4-methylsulfonylaniline
CID 115207423
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239371

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline (CID 115207341) is N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline is Cc1cc(N(C)CC2CNC2)ccc1F.
What is the InChIKey of N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline?
The InChIKey is UZMARTOAHPQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-5-11(3-4-12(9)13)15(2)8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline?
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline has a molecular weight of 208.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline is sourced from PubChem (CID 115207341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).