6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

C14H20BrNO — CID 113302997

IUPAC6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCC(C)c1cc(Br)cc2c1OC(C)(C)CC2N
InChIInChI=1S/C14H20BrNO/c1-8(2)10-5-9(15)6-11-12(16)7-14(3,4)17-13(10)11/h5-6,8,12H,7,16H2,1-4H3
InChIKeyBPCUGNYPYGXYQO-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.13
Rot. Bonds1

About 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 113302997) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID113302997
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCC(C)c1cc(Br)cc2c1OC(C)(C)CC2N
InChIInChI=1S/C14H20BrNO/c1-8(2)10-5-9(15)6-11-12(16)7-14(3,4)17-13(10)11/h5-6,8,12H,7,16H2,1-4H3
InChIKeyBPCUGNYPYGXYQO-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 115402563
8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696649
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
CID 115403013
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68595471
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652
(5R)-7-bromo-9-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 115403011
2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 162328196
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
(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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (CID 113302997) is 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is CC(C)c1cc(Br)cc2c1OC(C)(C)CC2N.
What is the InChIKey of 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is BPCUGNYPYGXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-8(2)10-5-9(15)6-11-12(16)7-14(3,4)17-13(10)11/h5-6,8,12H,7,16H2,1-4H3.
What are the key properties of 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 298.22 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 113302997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).