1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine

C17H25NO2 — CID 64574632

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC2OCCc3ccccc32)CCCCC1
InChIInChI=1S/C17H25NO2/c18-17(9-4-1-5-10-17)13-19-12-16-15-7-3-2-6-14(15)8-11-20-16/h2-3,6-7,16H,1,4-5,8-13,18H2
InChIKeyXHHAXYONORQGBM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.98
Rot. Bonds4

About 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine

1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine (PubChem CID 64574632) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine
PubChem CID64574632
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC2OCCc3ccccc32)CCCCC1
InChIInChI=1S/C17H25NO2/c18-17(9-4-1-5-10-17)13-19-12-16-15-7-3-2-6-14(15)8-11-20-16/h2-3,6-7,16H,1,4-5,8-13,18H2
InChIKeyXHHAXYONORQGBM-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylcycloheptan-1-amine
CID 65081192
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994997
2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
CID 114468363
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119994996
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425894
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)thiolan-3-ol
CID 79949074
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-1H-isochromene
CID 115956628
2-(3,4-dihydro-1H-isochromen-1-yl)ethylhydrazine
CID 114984667
1-(oxolan-2-ylmethoxymethyl)cyclohexan-1-amine
CID 64572264

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine (CID 64574632) is 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine is NC1(COCC2OCCc3ccccc32)CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine?
The InChIKey is XHHAXYONORQGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-17(9-4-1-5-10-17)13-19-12-16-15-7-3-2-6-14(15)8-11-20-16/h2-3,6-7,16H,1,4-5,8-13,18H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine?
1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 2.98, 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-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64574632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).