1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine

C12H16ClFN2 — CID 115207693

IUPAC1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(Cl)ccc1F)CC1CNC1
InChIInChI=1S/C12H16ClFN2/c1-16(7-9-5-15-6-9)8-10-4-11(13)2-3-12(10)14/h2-4,9,15H,5-8H2,1H3
InChIKeyOATZFRUYSJRTCF-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.13
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine

1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine (PubChem CID 115207693) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
PubChem CID115207693
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(Cl)ccc1F)CC1CNC1
InChIInChI=1S/C12H16ClFN2/c1-16(7-9-5-15-6-9)8-10-4-11(13)2-3-12(10)14/h2-4,9,15H,5-8H2,1H3
InChIKeyOATZFRUYSJRTCF-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]methanamine
CID 124855046
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716463
1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 115207690
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 82980475

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine (CID 115207693) is 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine is CN(Cc1cc(Cl)ccc1F)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine?
The InChIKey is OATZFRUYSJRTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-16(7-9-5-15-6-9)8-10-4-11(13)2-3-12(10)14/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine?
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine has a molecular weight of 242.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 115207693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).