9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine

C18H21NO — CID 54207105

IUPAC9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine
SMILESCCOC1C=Cc2cccc3ccc(NC(C)C)c1c23
InChIInChI=1S/C18H21NO/c1-4-20-16-11-9-14-7-5-6-13-8-10-15(19-12(2)3)18(16)17(13)14/h5-12,16,19H,4H2,1-3H3
InChIKeyPTGOHGRSUFTAIS-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.76
Rot. Bonds4

About 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine

9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine (PubChem CID 54207105) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine.

Molecular Properties

Compound Name9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine
PubChem CID54207105
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine
SMILESCCOC1C=Cc2cccc3ccc(NC(C)C)c1c23
InChIInChI=1S/C18H21NO/c1-4-20-16-11-9-14-7-5-6-13-8-10-15(19-12(2)3)18(16)17(13)14/h5-12,16,19H,4H2,1-3H3
InChIKeyPTGOHGRSUFTAIS-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
N-fluoro-9-methyl-1H-phenalen-1-amine
CID 153367407
9-(3-methylbutylamino)phenalen-1-one
CID 129048800
1-pentyl-1H-phenalene
CID 70319795
CID 175041145
CID 175041145
9-amino-1H-phenalen-1-ol
CID 82371874
acenaphthylene;ethane
CID 54237459
dimethyl-[9-(methylamino)-9H-phenalen-1-yl]azanium tetrafluoroborate
CID 88723036
1H-phenalen-1-yl 5,5-dimethylhexanoate
CID 174761552
1-(2-phenylpropyl)-1H-phenalene
CID 175272524
(4-ethyl-1H-phenalen-1-yl) 5-methylhexanoate
CID 174761985
acenaphthylene;benzene
CID 161131509

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine?
The IUPAC name of 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine (CID 54207105) is 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine.
What is the SMILES notation for 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine?
The canonical SMILES for 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine is CCOC1C=Cc2cccc3ccc(NC(C)C)c1c23.
What is the InChIKey of 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine?
The InChIKey is PTGOHGRSUFTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-20-16-11-9-14-7-5-6-13-8-10-15(19-12(2)3)18(16)17(13)14/h5-12,16,19H,4H2,1-3H3.
What are the key properties of 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine?
9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine is sourced from PubChem (CID 54207105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).