N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine

C16H21NO3S — CID 166720916

IUPACN-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine
SMILESCOc1cc2c(cc1OC)C(NC1CC1)=CC(CSC)O2
InChIInChI=1S/C16H21NO3S/c1-18-15-7-12-13(17-10-4-5-10)6-11(9-21-3)20-14(12)8-16(15)19-2/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyWAEYWBCDCQIWAL-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.92
Rot. Bonds6

About N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine

N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine (PubChem CID 166720916) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine
PubChem CID166720916
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine
SMILESCOc1cc2c(cc1OC)C(NC1CC1)=CC(CSC)O2
InChIInChI=1S/C16H21NO3S/c1-18-15-7-12-13(17-10-4-5-10)6-11(9-21-3)20-14(12)8-16(15)19-2/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyWAEYWBCDCQIWAL-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
CID 156760203
N-cyclopropyl-6-methoxy-7-phenylmethoxy-2-propan-2-yl-2H-chromen-4-amine
CID 156760212
N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
CID 156760214
6-chloro-N-cyclopropyl-2-(3-methyloxetan-3-yl)-7-(2-trimethylsilylethoxymethoxy)-2H-chromen-4-amine
CID 172728052
4,5-dimethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 43716724
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine
CID 63949144
N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
CID 162633091
N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine
CID 165355008
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
CID 113414428
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine?
The IUPAC name of N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine (CID 166720916) is N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine.
What is the SMILES notation for N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine?
The canonical SMILES for N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine is COc1cc2c(cc1OC)C(NC1CC1)=CC(CSC)O2.
What is the InChIKey of N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine?
The InChIKey is WAEYWBCDCQIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-18-15-7-12-13(17-10-4-5-10)6-11(9-21-3)20-14(12)8-16(15)19-2/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine?
N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine is sourced from PubChem (CID 166720916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).