N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine

C15H24N2 — CID 79687163

IUPACN-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-10-16-13(3)14-5-7-15(8-6-14)17-11-9-12(17)2/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyFBBUFTOCYVWLAJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.35
Rot. Bonds5

About N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 79687163) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID79687163
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-10-16-13(3)14-5-7-15(8-6-14)17-11-9-12(17)2/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyFBBUFTOCYVWLAJ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 62936571
N-[[4-(2-methylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913287
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
CID 43585360
N-[1-[4-(3-tert-butylazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79686737
2-[1-[4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798062
N-[1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 63533758
N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83127393
N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562789
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79591482
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine (CID 79687163) is N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCC2C)cc1.
What is the InChIKey of N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is FBBUFTOCYVWLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-10-16-13(3)14-5-7-15(8-6-14)17-11-9-12(17)2/h5-8,12-13,16H,4,9-11H2,1-3H3.
What are the key properties of N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 79687163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).