N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine

C14H20N2 — CID 106913366

IUPACN-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(CNC3CC3)cc2)C1
InChIInChI=1S/C14H20N2/c1-11-9-16(10-11)14-6-2-12(3-7-14)8-15-13-4-5-13/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3
InChIKeyFREHMYHQORXCNN-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.39
Rot. Bonds4

About N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106913366) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106913366
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(CNC3CC3)cc2)C1
InChIInChI=1S/C14H20N2/c1-11-9-16(10-11)14-6-2-12(3-7-14)8-15-13-4-5-13/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3
InChIKeyFREHMYHQORXCNN-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.39
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'}

Analyze N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 43544881
N-[[4-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
4-[4-[(cyclopropylamino)methyl]phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889713

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine (CID 106913366) is N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine is CC1CN(c2ccc(CNC3CC3)cc2)C1.
What is the InChIKey of N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is FREHMYHQORXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-16(10-11)14-6-2-12(3-7-14)8-15-13-4-5-13/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3.
What are the key properties of N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 216.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106913366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).