1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine

C17H25NO2 — CID 103559790

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)CC2CCOc3ccccc32)CCC1
InChIInChI=1S/C17H25NO2/c1-19-17(8-4-9-17)12-14(18)11-13-7-10-20-16-6-3-2-5-15(13)16/h2-3,5-6,13-14H,4,7-12,18H2,1H3
InChIKeyOCPAIXKGIOCYCO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103559790) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103559790
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)CC2CCOc3ccccc32)CCC1
InChIInChI=1S/C17H25NO2/c1-19-17(8-4-9-17)12-14(18)11-13-7-10-20-16-6-3-2-5-15(13)16/h2-3,5-6,13-14H,4,7-12,18H2,1H3
InChIKeyOCPAIXKGIOCYCO-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
CID 104768023
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299
1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
CID 105179792
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830543
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
CID 104768026
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
CID 104772612
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 103559790) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine is COC1(CC(N)CC2CCOc3ccccc32)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is OCPAIXKGIOCYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-17(8-4-9-17)12-14(18)11-13-7-10-20-16-6-3-2-5-15(13)16/h2-3,5-6,13-14H,4,7-12,18H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 5 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-yl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103559790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).