1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine

C12H17NO2 — CID 115258559

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17NO2/c1-14-9-13-8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyBQVZBJWNFMERNG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.71
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine

1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine (PubChem CID 115258559) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
PubChem CID115258559
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17NO2/c1-14-9-13-8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyBQVZBJWNFMERNG-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(methoxymethyl)methanamine
CID 115258498
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983
N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305123
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine (CID 115258559) is 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine is COCNCc1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine?
The InChIKey is BQVZBJWNFMERNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-9-13-8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,13H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.71, 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-6-yl)-N-(methoxymethyl)methanamine is sourced from PubChem (CID 115258559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).