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

C17H25NO2 — CID 107411470

IUPAC6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC1CCC(C)C1)CCO2
InChIInChI=1S/C17H25NO2/c1-12-3-4-13(9-12)11-18-16-7-8-20-17-6-5-14(19-2)10-15(16)17/h5-6,10,12-13,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyRDYCCFKGMVRVBL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.54
Rot. Bonds4

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

6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107411470) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID107411470
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC1CCC(C)C1)CCO2
InChIInChI=1S/C17H25NO2/c1-12-3-4-13(9-12)11-18-16-7-8-20-17-6-5-14(19-2)10-15(16)17/h5-6,10,12-13,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyRDYCCFKGMVRVBL-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
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
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 106370657
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 107411470) is 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NCC1CCC(C)C1)CCO2.
What is the InChIKey of 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RDYCCFKGMVRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-3-4-13(9-12)11-18-16-7-8-20-17-6-5-14(19-2)10-15(16)17/h5-6,10,12-13,16,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107411470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).