3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol

C16H23NO2 — CID 80561271

IUPAC3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(CC2OCCc3ccccc32)C1
InChIInChI=1S/C16H23NO2/c17-13-5-3-8-16(18,10-13)11-15-14-6-2-1-4-12(14)7-9-19-15/h1-2,4,6,13,15,18H,3,5,7-11,17H2
InChIKeyWSVWDWPQRTXTRI-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.32
Rot. Bonds2

About 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol

3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol (PubChem CID 80561271) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol
PubChem CID80561271
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(CC2OCCc3ccccc32)C1
InChIInChI=1S/C16H23NO2/c17-13-5-3-8-16(18,10-13)11-15-14-6-2-1-4-12(14)7-9-19-15/h1-2,4,6,13,15,18H,3,5,7-11,17H2
InChIKeyWSVWDWPQRTXTRI-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol
CID 64514062
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 65086149
4-(3,4-dihydro-1H-isochromen-1-ylmethyl)azepan-4-ol
CID 114982635
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)thiolan-3-ol
CID 79949074
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylcycloheptan-1-amine
CID 65081192
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425894
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methylthian-3-ol
CID 79951061
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
2-(3,4-dihydro-1H-isochromen-1-yl)ethylhydrazine
CID 114984667
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
CID 115302560

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol (CID 80561271) is 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol is NC1CCCC(O)(CC2OCCc3ccccc32)C1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is WSVWDWPQRTXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-13-5-3-8-16(18,10-13)11-15-14-6-2-1-4-12(14)7-9-19-15/h1-2,4,6,13,15,18H,3,5,7-11,17H2.
What are the key properties of 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol?
3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 80561271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).