3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine

C16H22N2O — CID 104771510

IUPAC3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
SMILESNC1(C2CC2)CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c17-16(13-5-6-13)10-18(11-16)9-12-7-8-19-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11,17H2
InChIKeyFYBFGPVWNHYKIE-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.98
Rot. Bonds3

About 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine

3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine (PubChem CID 104771510) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
PubChem CID104771510
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
SMILESNC1(C2CC2)CN(CC2CCOc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c17-16(13-5-6-13)10-18(11-16)9-12-7-8-19-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11,17H2
InChIKeyFYBFGPVWNHYKIE-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
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
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine?
The IUPAC name of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine (CID 104771510) is 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine?
The canonical SMILES for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine is NC1(C2CC2)CN(CC2CCOc3ccccc32)C1.
What is the InChIKey of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine?
The InChIKey is FYBFGPVWNHYKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-16(13-5-6-13)10-18(11-16)9-12-7-8-19-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11,17H2.
What are the key properties of 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine?
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine has a molecular weight of 258.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 104771510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).