2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol

C16H25NO — CID 66091440

IUPAC2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol
SMILESCC(C)(N)C1(CCO)CCCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,17)16(11-12-18)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,18H,5-6,8,10-12,17H2,1-2H3
InChIKeySBYOTIVUOWAMAG-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.77
Rot. Bonds3

About 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol

2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol (PubChem CID 66091440) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol
PubChem CID66091440
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol
SMILESCC(C)(N)C1(CCO)CCCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,17)16(11-12-18)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,18H,5-6,8,10-12,17H2,1-2H3
InChIKeySBYOTIVUOWAMAG-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol
CID 79127744
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 79128863
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 112592209
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol?
The IUPAC name of 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol (CID 66091440) is 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol.
What is the SMILES notation for 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol?
The canonical SMILES for 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol is CC(C)(N)C1(CCO)CCCCc2ccccc21.
What is the InChIKey of 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol?
The InChIKey is SBYOTIVUOWAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,17)16(11-12-18)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,18H,5-6,8,10-12,17H2,1-2H3.
What are the key properties of 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol?
2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]ethanol is sourced from PubChem (CID 66091440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).