6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine

C17H25NO3 — CID 103904001

IUPAC6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCC1(CNC2CCOc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H25NO3/c1-19-10-8-17(6-7-17)12-18-15-5-9-21-16-4-3-13(20-2)11-14(15)16/h3-4,11,15,18H,5-10,12H2,1-2H3
InChIKeyWCZNZSONBVNCNT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.93
Rot. Bonds7

About 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103904001) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID103904001
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCC1(CNC2CCOc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H25NO3/c1-19-10-8-17(6-7-17)12-18-15-5-9-21-16-4-3-13(20-2)11-14(15)16/h3-4,11,15,18H,5-10,12H2,1-2H3
InChIKeyWCZNZSONBVNCNT-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 113348909
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43765168
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine (CID 103904001) is 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine is COCCC1(CNC2CCOc3ccc(OC)cc32)CC1.
What is the InChIKey of 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WCZNZSONBVNCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-10-8-17(6-7-17)12-18-15-5-9-21-16-4-3-13(20-2)11-14(15)16/h3-4,11,15,18H,5-10,12H2,1-2H3.
What are the key properties of 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 291.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103904001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).