[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine

C14H20N2O — CID 113451461

IUPAC[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
SMILESNCC1CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c15-7-11-8-16(9-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10,15H2
InChIKeyDAEPDSFKPSITCC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.44
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine

[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine (PubChem CID 113451461) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
PubChem CID113451461
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
SMILESNCC1CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c15-7-11-8-16(9-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10,15H2
InChIKeyDAEPDSFKPSITCC-UHFFFAOYSA-N
XLogP1.44
TPSA38.49 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
3-(2-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771448
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine (CID 113451461) is [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine is NCC1CN(CC2CCOc3ccccc32)C1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine?
The InChIKey is DAEPDSFKPSITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-7-11-8-16(9-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12H,5-10,15H2.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine?
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 113451461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).