azetidin-3-yl-(4-propylphenyl)methanamine

C13H20N2 — CID 116935291

IUPACazetidin-3-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)C2CNC2)cc1
InChIInChI=1S/C13H20N2/c1-2-3-10-4-6-11(7-5-10)13(14)12-8-15-9-12/h4-7,12-13,15H,2-3,8-9,14H2,1H3
InChIKeyKZMOOMVHFLGPSV-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.86
Rot. Bonds4

About azetidin-3-yl-(4-propylphenyl)methanamine

azetidin-3-yl-(4-propylphenyl)methanamine (PubChem CID 116935291) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is azetidin-3-yl-(4-propylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(4-propylphenyl)methanamine
PubChem CID116935291
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameazetidin-3-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)C2CNC2)cc1
InChIInChI=1S/C13H20N2/c1-2-3-10-4-6-11(7-5-10)13(14)12-8-15-9-12/h4-7,12-13,15H,2-3,8-9,14H2,1H3
InChIKeyKZMOOMVHFLGPSV-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935
(3-ethyl-1,4-dithian-2-yl)-(4-propylphenyl)methanamine
CID 115387540
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
azetidin-3-yl-(4-phenoxyphenyl)methanamine
CID 116935313
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-propylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(4-propylphenyl)methanamine (CID 116935291) is azetidin-3-yl-(4-propylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(4-propylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(4-propylphenyl)methanamine is CCCc1ccc(C(N)C2CNC2)cc1.
What is the InChIKey of azetidin-3-yl-(4-propylphenyl)methanamine?
The InChIKey is KZMOOMVHFLGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-10-4-6-11(7-5-10)13(14)12-8-15-9-12/h4-7,12-13,15H,2-3,8-9,14H2,1H3.
What are the key properties of azetidin-3-yl-(4-propylphenyl)methanamine?
azetidin-3-yl-(4-propylphenyl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-propylphenyl)methanamine is sourced from PubChem (CID 116935291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).