(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol

C11H15NO2 — CID 130778486

IUPAC(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
SMILESCC1(C)C[C@H](N)c2cccc(O)c2O1
InChIInChI=1S/C11H15NO2/c1-11(2)6-8(12)7-4-3-5-9(13)10(7)14-11/h3-5,8,13H,6,12H2,1-2H3/t8-/m0/s1
InChIKeyDAMMQOBQLZHPLO-QMMMGPOBSA-N
MW193.25 g/mol
LogP1.95
Rot. Bonds

About (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol

(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol (PubChem CID 130778486) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol.

Molecular Properties

Compound Name(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
PubChem CID130778486
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
SMILESCC1(C)C[C@H](N)c2cccc(O)c2O1
InChIInChI=1S/C11H15NO2/c1-11(2)6-8(12)7-4-3-5-9(13)10(7)14-11/h3-5,8,13H,6,12H2,1-2H3/t8-/m0/s1
InChIKeyDAMMQOBQLZHPLO-QMMMGPOBSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 84675315
(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68595471
(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68597601
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696649
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652
6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 113302997
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862
2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 162328196
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The IUPAC name of (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol (CID 130778486) is (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol.
What is the SMILES notation for (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The canonical SMILES for (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol is CC1(C)C[C@H](N)c2cccc(O)c2O1.
What is the InChIKey of (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The InChIKey is DAMMQOBQLZHPLO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)6-8(12)7-4-3-5-9(13)10(7)14-11/h3-5,8,13H,6,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol?
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol has a molecular weight of 193.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol is sourced from PubChem (CID 130778486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).