N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine

C14H20N2O — CID 117040712

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
SMILESCN(Cc1ccc2c(c1)CCCO2)C1CNC1
InChIInChI=1S/C14H20N2O/c1-16(13-8-15-9-13)10-11-4-5-14-12(7-11)3-2-6-17-14/h4-5,7,13,15H,2-3,6,8-10H2,1H3
InChIKeyRCCHTNSOBWAKLX-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine (PubChem CID 117040712) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
PubChem CID117040712
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
SMILESCN(Cc1ccc2c(c1)CCCO2)C1CNC1
InChIInChI=1S/C14H20N2O/c1-16(13-8-15-9-13)10-11-4-5-14-12(7-11)3-2-6-17-14/h4-5,7,13,15H,2-3,6,8-10H2,1H3
InChIKeyRCCHTNSOBWAKLX-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine 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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
2-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]propanenitrile
CID 115130295
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine (CID 117040712) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine is CN(Cc1ccc2c(c1)CCCO2)C1CNC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine?
The InChIKey is RCCHTNSOBWAKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(13-8-15-9-13)10-11-4-5-14-12(7-11)3-2-6-17-14/h4-5,7,13,15H,2-3,6,8-10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).