4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol

C11H14BrNO2 — CID 15634796

IUPAC4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2ccc(Br)cc2C(N)C1O
InChIInChI=1S/C11H14BrNO2/c1-11(2)10(14)9(13)7-5-6(12)3-4-8(7)15-11/h3-5,9-10,14H,13H2,1-2H3
InChIKeyNGWYVWUSWGJIDL-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.98
Rot. Bonds

About 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol

4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol (PubChem CID 15634796) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
PubChem CID15634796
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2ccc(Br)cc2C(N)C1O
InChIInChI=1S/C11H14BrNO2/c1-11(2)10(14)9(13)7-5-6(12)3-4-8(7)15-11/h3-5,9-10,14H,13H2,1-2H3
InChIKeyNGWYVWUSWGJIDL-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-phenylmethanone
CID 10709125
9-amino-2,3,7,7-tetramethyl-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 143110056
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
(3R,4S)-4-amino-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol
CID 54090204
2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 69058857
6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
CID 112743534
(3S,4R)-4-amino-6-(benzenesulfonyl)-2,2-dimethyl-3,4-dihydrochromen-3-ol;2-hydroxy-2-phenylacetic acid
CID 162118457
1-[(3S,4R)-6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dichlorophenyl)-1-methylurea
CID 101088725
(4S)-6-bromo-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104951248
1-[(3S,4R)-6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(1-hydroxypropyl)pyridin-2-one
CID 139980053
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The IUPAC name of 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol (CID 15634796) is 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol.
What is the SMILES notation for 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The canonical SMILES for 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol is CC1(C)Oc2ccc(Br)cc2C(N)C1O.
What is the InChIKey of 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The InChIKey is NGWYVWUSWGJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2)10(14)9(13)7-5-6(12)3-4-8(7)15-11/h3-5,9-10,14H,13H2,1-2H3.
What are the key properties of 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol?
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol has a molecular weight of 272.14 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol is sourced from PubChem (CID 15634796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).