1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine

C13H19NO2 — CID 116914506

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
SMILESCOC(c1ccc2c(c1)CCCO2)N(C)C
InChIInChI=1S/C13H19NO2/c1-14(2)13(15-3)11-6-7-12-10(9-11)5-4-8-16-12/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyTVYCKDMRRSBWEE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine (PubChem CID 116914506) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
PubChem CID116914506
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
SMILESCOC(c1ccc2c(c1)CCCO2)N(C)C
InChIInChI=1S/C13H19NO2/c1-14(2)13(15-3)11-6-7-12-10(9-11)5-4-8-16-12/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyTVYCKDMRRSBWEE-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
CID 130690343
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
6-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
CID 103557780
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine (CID 116914506) is 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine is COC(c1ccc2c(c1)CCCO2)N(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine?
The InChIKey is TVYCKDMRRSBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(2)13(15-3)11-6-7-12-10(9-11)5-4-8-16-12/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 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)-1-methoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 116914506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).