N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C16H25BrN2O — CID 103787725

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H25BrN2O/c1-3-9-19(4-2)10-8-18-15-7-11-20-16-6-5-13(17)12-14(15)16/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyRZSUPATUYVVJIP-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.59
Rot. Bonds7

About N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103787725) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103787725
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H25BrN2O/c1-3-9-19(4-2)10-8-18-15-7-11-20-16-6-5-13(17)12-14(15)16/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyRZSUPATUYVVJIP-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
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-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
CID 115719269
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787509

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 103787725) is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC1CCOc2ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is RZSUPATUYVVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-9-19(4-2)10-8-18-15-7-11-20-16-6-5-13(17)12-14(15)16/h5-6,12,15,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 341.29 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103787725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).