2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

C17H27NO2 — CID 114712872

IUPAC2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(COCC)Oc2ccc(C)cc21
InChIInChI=1S/C17H27NO2/c1-5-9-18-15-11-17(4,12-19-6-2)20-16-8-7-13(3)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyLPNWNEOPNSGICR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds6

About 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 114712872) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID114712872
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(COCC)Oc2ccc(C)cc21
InChIInChI=1S/C17H27NO2/c1-5-9-18-15-11-17(4,12-19-6-2)20-16-8-7-13(3)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyLPNWNEOPNSGICR-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114711924
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (CID 114712872) is 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(C)(COCC)Oc2ccc(C)cc21.
What is the InChIKey of 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is LPNWNEOPNSGICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-9-18-15-11-17(4,12-19-6-2)20-16-8-7-13(3)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).