6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C14H20BrNO — CID 114713390

IUPAC6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C(C)C)Oc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO/c1-4-16-12-8-14(9(2)3)17-13-6-5-10(15)7-11(12)13/h5-7,9,12,14,16H,4,8H2,1-3H3
InChIKeyWCQPTYCWAHMUMD-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.91
Rot. Bonds3

About 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713390) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713390
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C(C)C)Oc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO/c1-4-16-12-8-14(9(2)3)17-13-6-5-10(15)7-11(12)13/h5-7,9,12,14,16H,4,8H2,1-3H3
InChIKeyWCQPTYCWAHMUMD-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
6-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676770
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114713390) is 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(C(C)C)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WCQPTYCWAHMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-4-16-12-8-14(9(2)3)17-13-6-5-10(15)7-11(12)13/h5-7,9,12,14,16H,4,8H2,1-3H3.
What are the key properties of 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 298.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).