(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)

C16H17NY2-2 — CID 135038498

IUPAC(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)
SMILESC[C@H](N[C@@H](C)c1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y]
InChIInChI=1S/C16H17N.2Y/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;/h5-14,17H,1-2H3;;/q-2;;/t13-,14-;;/m0../s1
InChIKeyMNPNLMGIQKDNOQ-AXEKQOJOSA-N
MW401.13 g/mol
LogP3.69
Rot. Bonds4

About (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)

(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium) (PubChem CID 135038498) has the molecular formula C16H17NY2-2 and a molecular weight of 401.13 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium).

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)
PubChem CID135038498
Molecular FormulaC16H17NY2-2
Molecular Weight401.13 g/mol
Exact Mass400.95
IUPAC Name(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)
SMILESC[C@H](N[C@@H](C)c1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y]
InChIInChI=1S/C16H17N.2Y/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;/h5-14,17H,1-2H3;;/q-2;;/t13-,14-;;/m0../s1
InChIKeyMNPNLMGIQKDNOQ-AXEKQOJOSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 142256481
(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine
CID 171547680
N-(1-phenylethyl)propan-2-amine;rutherfordium
CID 134973086
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
CID 139250147
N-(tert-butyl)cyclohexa-2,4-dien-1-amine
CID 163304619
(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 143443344
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 178087421
N-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 12809262
N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine
CID 15267070
1-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine
CID 53976676

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)?
The IUPAC name of (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium) (CID 135038498) is (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium).
What is the SMILES notation for (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)?
The canonical SMILES for (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium) is C[C@H](N[C@@H](C)c1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y].
What is the InChIKey of (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)?
The InChIKey is MNPNLMGIQKDNOQ-AXEKQOJOSA-N. The full InChI is InChI=1S/C16H17N.2Y/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;;/h5-14,17H,1-2H3;;/q-2;;/t13-,14-;;/m0../s1.
What are the key properties of (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)?
(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium) has a molecular weight of 401.13 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium) is sourced from PubChem (CID 135038498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).