1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine

C19H23FN2 — CID 122504704

IUPAC1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1(F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23FN2/c1-21(2)13-19(20)14-22(15-19)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyUNASPZSZSFUVQX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine

1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 122504704) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
PubChem CID122504704
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1(F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23FN2/c1-21(2)13-19(20)14-22(15-19)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyUNASPZSZSFUVQX-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 6355846
1-benzhydryl-3-(4-bromophenyl)-3-fluoroazetidine
CID 71680315
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
1-benzhydryl-4-methylpiperazin-4-ium chloride
CID 517299
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
(1S,5S)-3-benzhydryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 6355536
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
CID 142975175
2-(5-benzhydryl-5-azaspiro[2.3]hexan-2-yl)acetonitrile
CID 156555263

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine (CID 122504704) is 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine is CN(C)CC1(F)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is UNASPZSZSFUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-21(2)13-19(20)14-22(15-19)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine?
1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 122504704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).