N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

C17H27NO2 — CID 114713069

IUPACN-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)C1CC(NCC)c2cc(OC)ccc2O1
InChIInChI=1S/C17H27NO2/c1-5-7-12(3)17-11-15(18-6-2)14-10-13(19-4)8-9-16(14)20-17/h8-10,12,15,17-18H,5-7,11H2,1-4H3
InChIKeyQOHKHPIXGREEED-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713069) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713069
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)C1CC(NCC)c2cc(OC)ccc2O1
InChIInChI=1S/C17H27NO2/c1-5-7-12(3)17-11-15(18-6-2)14-10-13(19-4)8-9-16(14)20-17/h8-10,12,15,17-18H,5-7,11H2,1-4H3
InChIKeyQOHKHPIXGREEED-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6-methoxy-2-pentan-2-yl-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-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713104
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
6-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715636
7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114713069) is N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is CCCC(C)C1CC(NCC)c2cc(OC)ccc2O1.
What is the InChIKey of N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QOHKHPIXGREEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-12(3)17-11-15(18-6-2)14-10-13(19-4)8-9-16(14)20-17/h8-10,12,15,17-18H,5-7,11H2,1-4H3.
What are the key properties of N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).