7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

C12H16BrNO — CID 79982958

IUPAC7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-12(2)7-10(14-3)9-5-4-8(13)6-11(9)15-12/h4-6,10,14H,7H2,1-3H3
InChIKeyBQMOBIGRUGMJAF-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds1

About 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 79982958) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID79982958
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-12(2)7-10(14-3)9-5-4-8(13)6-11(9)15-12/h4-6,10,14H,7H2,1-3H3
InChIKeyBQMOBIGRUGMJAF-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664658
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114711592
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711614
7-bromo-2,2-dimethyl-3,4-dihydrochromene-4-carbonitrile
CID 162342582
N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
CID 64696866
7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 62390031
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897
3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62934035
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250
N,2-dimethyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114711989

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (CID 79982958) is 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is CNC1CC(C)(C)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is BQMOBIGRUGMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2)7-10(14-3)9-5-4-8(13)6-11(9)15-12/h4-6,10,14H,7H2,1-3H3.
What are the key properties of 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 79982958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).