phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol

C17H21NO — CID 143731066

IUPACphenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCc1ccccc1.Oc1cccc2c1CCCC2
InChIInChI=1S/C10H12O.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h3,5,7,11H,1-2,4,6H2;1-5H,6,8H2
InChIKeyQCTULOYATLFZOU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.42
Rot. Bonds1

About phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol

phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 143731066) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Namephenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID143731066
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Namephenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCc1ccccc1.Oc1cccc2c1CCCC2
InChIInChI=1S/C10H12O.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h3,5,7,11H,1-2,4,6H2;1-5H,6,8H2
InChIKeyQCTULOYATLFZOU-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol (CID 143731066) is phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol is NCc1ccccc1.Oc1cccc2c1CCCC2.
What is the InChIKey of phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is QCTULOYATLFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h3,5,7,11H,1-2,4,6H2;1-5H,6,8H2.
What are the key properties of phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol?
phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 143731066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).