6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine

C17H24BrNO — CID 63450747

IUPAC6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCCC1CCCCC1)CCO2
InChIInChI=1S/C17H24BrNO/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h6-7,12-13,16,19H,1-5,8-11H2
InChIKeyVFMBYYKKUOYYJK-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.83
Rot. Bonds4

About 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63450747) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID63450747
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCCC1CCCCC1)CCO2
InChIInChI=1S/C17H24BrNO/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h6-7,12-13,16,19H,1-5,8-11H2
InChIKeyVFMBYYKKUOYYJK-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
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CID 115890026
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103778612
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 63450747) is 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine is Brc1ccc2c(c1)C(NCCC1CCCCC1)CCO2.
What is the InChIKey of 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VFMBYYKKUOYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h6-7,12-13,16,19H,1-5,8-11H2.
What are the key properties of 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63450747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).