6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C15H20ClNO2 — CID 114711294

IUPAC6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCOC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c1-2-17-13-8-15(10-5-6-18-9-10)19-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,15,17H,2,5-6,8-9H2,1H3
InChIKeyQHPZGCVIOVTPJL-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.18
Rot. Bonds3

About 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711294) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711294
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCOC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c1-2-17-13-8-15(10-5-6-18-9-10)19-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,15,17H,2,5-6,8-9H2,1H3
InChIKeyQHPZGCVIOVTPJL-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114711294) is 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(C2CCOC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QHPZGCVIOVTPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-17-13-8-15(10-5-6-18-9-10)19-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,15,17H,2,5-6,8-9H2,1H3.
What are the key properties of 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).