[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine

C17H25NO2 — CID 104768023

IUPAC[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC2CCOc3ccccc32)CCCCC1
InChIInChI=1S/C17H25NO2/c18-13-17(9-4-1-5-10-17)20-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,14H,1,4-5,8-13,18H2
InChIKeyROPMPQIZLCVVEZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds4

About [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine

[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine (PubChem CID 104768023) 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-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
PubChem CID104768023
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC2CCOc3ccccc32)CCCCC1
InChIInChI=1S/C17H25NO2/c18-13-17(9-4-1-5-10-17)20-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,14H,1,4-5,8-13,18H2
InChIKeyROPMPQIZLCVVEZ-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
CID 104768026
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559790
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830543
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclobutan-1-amine
CID 104768849
3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
CID 104768841
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747763
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine (CID 104768023) is [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine is NCC1(OCC2CCOc3ccccc32)CCCCC1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is ROPMPQIZLCVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-13-17(9-4-1-5-10-17)20-12-14-8-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,14H,1,4-5,8-13,18H2.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine?
[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 4 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-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 104768023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).