(5-aminonaphthalen-1-yl)methanol

C11H11NO — CID 117275395

IUPAC(5-aminonaphthalen-1-yl)methanol
SMILESNc1cccc2c(CO)cccc12
InChIInChI=1S/C11H11NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-6,13H,7,12H2
InChIKeyPVGYHBMPTLQEIV-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.91
Rot. Bonds1

About (5-aminonaphthalen-1-yl)methanol

(5-aminonaphthalen-1-yl)methanol (PubChem CID 117275395) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (5-aminonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-aminonaphthalen-1-yl)methanol
PubChem CID117275395
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(5-aminonaphthalen-1-yl)methanol
SMILESNc1cccc2c(CO)cccc12
InChIInChI=1S/C11H11NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-6,13H,7,12H2
InChIKeyPVGYHBMPTLQEIV-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylpropyl)naphthalen-1-amine
CID 134233133
(8-aminonaphthalen-1-yl)methanol
CID 118807853
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132
CID 135259743
CID 135259743
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol
CID 23298595
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
5-(4-fluorophenyl)naphthalen-1-amine
CID 172677714
formic acid;naphthalen-1-amine
CID 174286759
dichloromethane;naphthalen-1-amine
CID 174958204

Frequently Asked Questions

What is the IUPAC name of (5-aminonaphthalen-1-yl)methanol?
The IUPAC name of (5-aminonaphthalen-1-yl)methanol (CID 117275395) is (5-aminonaphthalen-1-yl)methanol.
What is the SMILES notation for (5-aminonaphthalen-1-yl)methanol?
The canonical SMILES for (5-aminonaphthalen-1-yl)methanol is Nc1cccc2c(CO)cccc12.
What is the InChIKey of (5-aminonaphthalen-1-yl)methanol?
The InChIKey is PVGYHBMPTLQEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-6,13H,7,12H2.
What are the key properties of (5-aminonaphthalen-1-yl)methanol?
(5-aminonaphthalen-1-yl)methanol has a molecular weight of 173.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminonaphthalen-1-yl)methanol is sourced from PubChem (CID 117275395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).