3-(naphthalen-1-ylmethylamino)propan-1-ol

C14H17NO — CID 664896

IUPAC3-(naphthalen-1-ylmethylamino)propan-1-ol
SMILESOCCCNCc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c16-10-4-9-15-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15-16H,4,9-11H2
InChIKeyZTOYLCZWOWPRLO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.31
Rot. Bonds5

About 3-(naphthalen-1-ylmethylamino)propan-1-ol

3-(naphthalen-1-ylmethylamino)propan-1-ol (PubChem CID 664896) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylamino)propan-1-ol
PubChem CID664896
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(naphthalen-1-ylmethylamino)propan-1-ol
SMILESOCCCNCc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c16-10-4-9-15-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15-16H,4,9-11H2
InChIKeyZTOYLCZWOWPRLO-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(naphthalen-1-ylmethylamino)propan-1-ol (CID 664896) is 3-(naphthalen-1-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(naphthalen-1-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(naphthalen-1-ylmethylamino)propan-1-ol is OCCCNCc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylamino)propan-1-ol?
The InChIKey is ZTOYLCZWOWPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-10-4-9-15-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15-16H,4,9-11H2.
What are the key properties of 3-(naphthalen-1-ylmethylamino)propan-1-ol?
3-(naphthalen-1-ylmethylamino)propan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylamino)propan-1-ol is sourced from PubChem (CID 664896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).