6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C16H19Cl2NO2 — CID 103905846

IUPAC6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NC1CCOC1C1CC1)CCO2
InChIInChI=1S/C16H19Cl2NO2/c17-10-7-11-13(3-5-21-16(11)12(18)8-10)19-14-4-6-20-15(14)9-1-2-9/h7-9,13-15,19H,1-6H2
InChIKeyFAUCDCDHWBBCKO-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.97
Rot. Bonds3

About 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103905846) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103905846
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NC1CCOC1C1CC1)CCO2
InChIInChI=1S/C16H19Cl2NO2/c17-10-7-11-13(3-5-21-16(11)12(18)8-10)19-14-4-6-20-15(14)9-1-2-9/h7-9,13-15,19H,1-6H2
InChIKeyFAUCDCDHWBBCKO-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
CID 103785053
6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 64921533
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
CID 81345378
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43762220
6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 63477888
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 103905846) is 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is Clc1cc(Cl)c2c(c1)C(NC1CCOC1C1CC1)CCO2.
What is the InChIKey of 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FAUCDCDHWBBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-10-7-11-13(3-5-21-16(11)12(18)8-10)19-14-4-6-20-15(14)9-1-2-9/h7-9,13-15,19H,1-6H2.
What are the key properties of 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 328.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103905846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).