3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol

C14H21NO — CID 84684971

IUPAC3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
SMILESNCCC(O)c1ccc2c(c1)CCCCC2
InChIInChI=1S/C14H21NO/c15-9-8-14(16)13-7-6-11-4-2-1-3-5-12(11)10-13/h6-7,10,14,16H,1-5,8-9,15H2
InChIKeyKALUAMAKOFQTJV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol

3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol (PubChem CID 84684971) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
PubChem CID84684971
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
SMILESNCCC(O)c1ccc2c(c1)CCCCC2
InChIInChI=1S/C14H21NO/c15-9-8-14(16)13-7-6-11-4-2-1-3-5-12(11)10-13/h6-7,10,14,16H,1-5,8-9,15H2
InChIKeyKALUAMAKOFQTJV-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116831085
3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
CID 130479547
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
CID 84787556
sodium 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoate
CID 23703653
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol (CID 84684971) is 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol is NCCC(O)c1ccc2c(c1)CCCCC2.
What is the InChIKey of 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol?
The InChIKey is KALUAMAKOFQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-9-8-14(16)13-7-6-11-4-2-1-3-5-12(11)10-13/h6-7,10,14,16H,1-5,8-9,15H2.
What are the key properties of 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol?
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol is sourced from PubChem (CID 84684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).