4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

C22H26N2O4 — CID 57080666

IUPAC4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H26N2O4/c1-23-10-7-11-27-24-21-16-12-19(25-2)20(26-3)13-18(16)28-22(14-17(21)22)15-8-5-4-6-9-15/h4-6,8-9,12-13,23-24H,7,10-11,14H2,1-3H3
InChIKeyIQNXSGATDIQFOQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.24
Rot. Bonds9

About 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (PubChem CID 57080666) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.

Molecular Properties

Compound Name4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
PubChem CID57080666
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H26N2O4/c1-23-10-7-11-27-24-21-16-12-19(25-2)20(26-3)13-18(16)28-22(14-17(21)22)15-8-5-4-6-9-15/h4-6,8-9,12-13,23-24H,7,10-11,14H2,1-3H3
InChIKeyIQNXSGATDIQFOQ-UHFFFAOYSA-N
XLogP3.24
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57003860
4-bromo-N-[3-(ethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57225758
4-chloro-1a-(4-fluorophenyl)-N-[3-(methylamino)propoxy]-1H-cyclopropa[b]chromen-7-amine
CID 57172305
5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57197920
2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
CID 57109839
N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
CID 56980456
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439364
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The IUPAC name of 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (CID 57080666) is 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.
What is the SMILES notation for 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The canonical SMILES for 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is CNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)c(OC)cc21.
What is the InChIKey of 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The InChIKey is IQNXSGATDIQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-10-7-11-27-24-21-16-12-19(25-2)20(26-3)13-18(16)28-22(14-17(21)22)15-8-5-4-6-9-15/h4-6,8-9,12-13,23-24H,7,10-11,14H2,1-3H3.
What are the key properties of 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine has a molecular weight of 382.46 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is sourced from PubChem (CID 57080666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).