N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine

C18H23N3 — CID 66183071

IUPACN-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3/c1-2-12-21(16-13-19-14-16)18(15-8-4-3-5-9-15)17-10-6-7-11-20-17/h3-11,16,18-19H,2,12-14H2,1H3
InChIKeyWDUDWHZNCZSYLP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds6

About N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine

N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66183071) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66183071
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3/c1-2-12-21(16-13-19-14-16)18(15-8-4-3-5-9-15)17-10-6-7-11-20-17/h3-11,16,18-19H,2,12-14H2,1H3
InChIKeyWDUDWHZNCZSYLP-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-N-methylazetidin-3-amine
CID 66187999
N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine
CID 66184000
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
CID 142144018
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-(azetidin-3-yl)-N-propyl-2-pyridin-2-ylacetamide
CID 66182452
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
1-(azetidin-3-yl)-1-benzhydrylhydrazine
CID 174629729
N-methyl-1-phenyl-1-pyridin-2-yl-N-(pyridin-4-ylmethyl)methanamine
CID 84591336

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine (CID 66183071) is N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine is CCCN(C1CNC1)C(c1ccccc1)c1ccccn1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is WDUDWHZNCZSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-12-21(16-13-19-14-16)18(15-8-4-3-5-9-15)17-10-6-7-11-20-17/h3-11,16,18-19H,2,12-14H2,1H3.
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine?
N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66183071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).