2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine

C17H25NO2 — CID 114712937

IUPAC2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CC2CCC2)Oc2ccc(OC)cc21
InChIInChI=1S/C17H25NO2/c1-17(10-12-5-4-6-12)11-15(18-2)14-9-13(19-3)7-8-16(14)20-17/h7-9,12,15,18H,4-6,10-11H2,1-3H3
InChIKeySLEQHXBQQSTJIP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.69
Rot. Bonds4

About 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine

2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 114712937) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID114712937
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CC2CCC2)Oc2ccc(OC)cc21
InChIInChI=1S/C17H25NO2/c1-17(10-12-5-4-6-12)11-15(18-2)14-9-13(19-3)7-8-16(14)20-17/h7-9,12,15,18H,4-6,10-11H2,1-3H3
InChIKeySLEQHXBQQSTJIP-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethyl)-7-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114710888
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine (CID 114712937) is 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine is CNC1CC(C)(CC2CCC2)Oc2ccc(OC)cc21.
What is the InChIKey of 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is SLEQHXBQQSTJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(10-12-5-4-6-12)11-15(18-2)14-9-13(19-3)7-8-16(14)20-17/h7-9,12,15,18H,4-6,10-11H2,1-3H3.
What are the key properties of 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine?
2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).