(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol

C14H18N2O — CID 141318119

IUPAC(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@@H]1CN=CC12CC2)c1ccccc1
InChIInChI=1S/C14H18N2O/c17-9-12(11-4-2-1-3-5-11)16-13-8-15-10-14(13)6-7-14/h1-5,10,12-13,16-17H,6-9H2/t12-,13+/m0/s1
InChIKeyFPCZXNZZXXSGKE-QWHCGFSZSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol

(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol (PubChem CID 141318119) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol
PubChem CID141318119
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@@H]1CN=CC12CC2)c1ccccc1
InChIInChI=1S/C14H18N2O/c17-9-12(11-4-2-1-3-5-11)16-13-8-15-10-14(13)6-7-14/h1-5,10,12-13,16-17H,6-9H2/t12-,13+/m0/s1
InChIKeyFPCZXNZZXXSGKE-QWHCGFSZSA-N
XLogP1.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol (CID 141318119) is (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol is OC[C@H](N[C@@H]1CN=CC12CC2)c1ccccc1.
What is the InChIKey of (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol?
The InChIKey is FPCZXNZZXXSGKE-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18N2O/c17-9-12(11-4-2-1-3-5-11)16-13-8-15-10-14(13)6-7-14/h1-5,10,12-13,16-17H,6-9H2/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol?
(2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol has a molecular weight of 230.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(7S)-5-azaspiro[2.4]hept-4-en-7-yl]amino]-2-phenylethanol is sourced from PubChem (CID 141318119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).