N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

C11H14Cl2N2O — CID 60888947

IUPACN'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESNCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H14Cl2N2O/c12-7-5-8-10(15-3-2-14)1-4-16-11(8)9(13)6-7/h5-6,10,15H,1-4,14H2
InChIKeyPVJOANPFMZTRMU-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.37
Rot. Bonds3

About N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (PubChem CID 60888947) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
PubChem CID60888947
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESNCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H14Cl2N2O/c12-7-5-8-10(15-3-2-14)1-4-16-11(8)9(13)6-7/h5-6,10,15H,1-4,14H2
InChIKeyPVJOANPFMZTRMU-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
6,8-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 64548316
6,8-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 106395863
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 62846074
6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 65230413
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61016507
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429

Frequently Asked Questions

What is the IUPAC name of N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (CID 60888947) is N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is NCCNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The InChIKey is PVJOANPFMZTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-7-5-8-10(15-3-2-14)1-4-16-11(8)9(13)6-7/h5-6,10,15H,1-4,14H2.
What are the key properties of N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine has a molecular weight of 261.15 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 60888947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).