[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine

C12H17NO2 — CID 100659874

IUPAC[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine
SMILESCOC[C@]1(CN)OCCc2ccccc21
InChIInChI=1S/C12H17NO2/c1-14-9-12(8-13)11-5-3-2-4-10(11)6-7-15-12/h2-5H,6-9,13H2,1H3/t12-/m0/s1
InChIKeyRBXCTWVBGCETGV-LBPRGKRZSA-N
MW207.27 g/mol
LogP1.06
Rot. Bonds3

About [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine

[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine (PubChem CID 100659874) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine
PubChem CID100659874
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine
SMILESCOC[C@]1(CN)OCCc2ccccc21
InChIInChI=1S/C12H17NO2/c1-14-9-12(8-13)11-5-3-2-4-10(11)6-7-15-12/h2-5H,6-9,13H2,1H3/t12-/m0/s1
InChIKeyRBXCTWVBGCETGV-LBPRGKRZSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]propan-1-amine
CID 171983373
3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]-N,N-diethylpropan-1-amine;dihydrochloride
CID 52997744
10,10-bis(methoxymethyl)-9H-anthracene
CID 22140519
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441
1-propan-2-yl-3,4-dihydroisochromene-1-carbaldehyde
CID 12781280
1-(methoxymethyl)-3,4-dihydroisothiochromene-1-carbonitrile
CID 71385570
1-(1-methoxypropan-2-yl)-2,3-dihydroinden-1-amine
CID 115624951
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 102940470

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine?
The IUPAC name of [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine (CID 100659874) is [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine.
What is the SMILES notation for [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine?
The canonical SMILES for [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine is COC[C@]1(CN)OCCc2ccccc21.
What is the InChIKey of [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine?
The InChIKey is RBXCTWVBGCETGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-9-12(8-13)11-5-3-2-4-10(11)6-7-15-12/h2-5H,6-9,13H2,1H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine?
[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine is sourced from PubChem (CID 100659874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).