(1S)-N-ethoxy-1-naphthalen-2-ylethanamine

C14H17NO — CID 163358795

IUPAC(1S)-N-ethoxy-1-naphthalen-2-ylethanamine
SMILESCCON[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO/c1-3-16-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11,15H,3H2,1-2H3/t11-/m0/s1
InChIKeyOJBYPMFEJDAPMR-NSHDSACASA-N
MW215.30 g/mol
LogP3.44
Rot. Bonds4

About (1S)-N-ethoxy-1-naphthalen-2-ylethanamine

(1S)-N-ethoxy-1-naphthalen-2-ylethanamine (PubChem CID 163358795) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S)-N-ethoxy-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-ethoxy-1-naphthalen-2-ylethanamine
PubChem CID163358795
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1S)-N-ethoxy-1-naphthalen-2-ylethanamine
SMILESCCON[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO/c1-3-16-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11,15H,3H2,1-2H3/t11-/m0/s1
InChIKeyOJBYPMFEJDAPMR-NSHDSACASA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethoxy-1-naphthalen-2-ylethanamine?
The IUPAC name of (1S)-N-ethoxy-1-naphthalen-2-ylethanamine (CID 163358795) is (1S)-N-ethoxy-1-naphthalen-2-ylethanamine.
What is the SMILES notation for (1S)-N-ethoxy-1-naphthalen-2-ylethanamine?
The canonical SMILES for (1S)-N-ethoxy-1-naphthalen-2-ylethanamine is CCON[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-N-ethoxy-1-naphthalen-2-ylethanamine?
The InChIKey is OJBYPMFEJDAPMR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO/c1-3-16-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11,15H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-ethoxy-1-naphthalen-2-ylethanamine?
(1S)-N-ethoxy-1-naphthalen-2-ylethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethoxy-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 163358795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).