8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C15H23NO — CID 43512509

IUPAC8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2c(C(C)CC)cccc21
InChIInChI=1S/C15H23NO/c1-4-11(3)12-7-6-8-13-14(16-5-2)9-10-17-15(12)13/h6-8,11,14,16H,4-5,9-10H2,1-3H3
InChIKeyDPCYEYSLPXANFR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.63
Rot. Bonds4

About 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine

8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512509) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512509
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2c(C(C)CC)cccc21
InChIInChI=1S/C15H23NO/c1-4-11(3)12-7-6-8-13-14(16-5-2)9-10-17-15(12)13/h6-8,11,14,16H,4-5,9-10H2,1-3H3
InChIKeyDPCYEYSLPXANFR-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 43512509) is 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CCOc2c(C(C)CC)cccc21.
What is the InChIKey of 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DPCYEYSLPXANFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-11(3)12-7-6-8-13-14(16-5-2)9-10-17-15(12)13/h6-8,11,14,16H,4-5,9-10H2,1-3H3.
What are the key properties of 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).