4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol

C16H19NO — CID 177057254

IUPAC4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol
SMILESOc1cc(CCNCC2CC2)c2ccccc2c1
InChIInChI=1S/C16H19NO/c18-15-9-13-3-1-2-4-16(13)14(10-15)7-8-17-11-12-5-6-12/h1-4,9-10,12,17-18H,5-8,11H2
InChIKeyHQIUBNWIGNRBRP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.09
Rot. Bonds5

About 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol

4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol (PubChem CID 177057254) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol
PubChem CID177057254
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol
SMILESOc1cc(CCNCC2CC2)c2ccccc2c1
InChIInChI=1S/C16H19NO/c18-15-9-13-3-1-2-4-16(13)14(10-15)7-8-17-11-12-5-6-12/h1-4,9-10,12,17-18H,5-8,11H2
InChIKeyHQIUBNWIGNRBRP-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.09
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 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol?
The IUPAC name of 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol (CID 177057254) is 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol is Oc1cc(CCNCC2CC2)c2ccccc2c1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol?
The InChIKey is HQIUBNWIGNRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-15-9-13-3-1-2-4-16(13)14(10-15)7-8-17-11-12-5-6-12/h1-4,9-10,12,17-18H,5-8,11H2.
What are the key properties of 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol?
4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol is sourced from PubChem (CID 177057254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).