3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C18H29NO3 — CID 82187449

IUPAC3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCN(CCC)C1C(O)c2cc(OC)ccc2OC1(C)C
InChIInChI=1S/C18H29NO3/c1-6-10-19(11-7-2)17-16(20)14-12-13(21-5)8-9-15(14)22-18(17,3)4/h8-9,12,16-17,20H,6-7,10-11H2,1-5H3
InChIKeyKCXIPRQTWJGDSQ-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.39
Rot. Bonds6

About 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187449) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82187449
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCN(CCC)C1C(O)c2cc(OC)ccc2OC1(C)C
InChIInChI=1S/C18H29NO3/c1-6-10-19(11-7-2)17-16(20)14-12-13(21-5)8-9-15(14)22-18(17,3)4/h8-9,12,16-17,20H,6-7,10-11H2,1-5H3
InChIKeyKCXIPRQTWJGDSQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187476
3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187377
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 13222925
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
(3S,4R)-6-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol;hydrochloride
CID 13223035
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
(2R,3R,4aR,10bR)-9-methoxy-5,5-dimethyl-2-propyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-3-carboxylic acid
CID 110147318

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82187449) is 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is CCCN(CCC)C1C(O)c2cc(OC)ccc2OC1(C)C.
What is the InChIKey of 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is KCXIPRQTWJGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-10-19(11-7-2)17-16(20)14-12-13(21-5)8-9-15(14)22-18(17,3)4/h8-9,12,16-17,20H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 307.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).