(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium

C15H21NOY-2 — CID 162113135

IUPAC(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium
SMILES[CH2-]CN(C[CH2-])[C@@H](C)c1ccc2c(c1)OCCC2.[Y]
InChIInChI=1S/C15H21NO.Y/c1-4-16(5-2)12(3)14-9-8-13-7-6-10-17-15(13)11-14;/h8-9,11-12H,1-2,4-7,10H2,3H3;/q-2;/t12-;/m0./s1
InChIKeyPYSCTZMKDRXRPV-YDALLXLXSA-N
MW320.25 g/mol
LogP3.04
Rot. Bonds4

About (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium

(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium (PubChem CID 162113135) has the molecular formula C15H21NOY-2 and a molecular weight of 320.25 g/mol. Its IUPAC name is (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium.

Molecular Properties

Compound Name(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium
PubChem CID162113135
Molecular FormulaC15H21NOY-2
Molecular Weight320.25 g/mol
Exact Mass320.07
IUPAC Name(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium
SMILES[CH2-]CN(C[CH2-])[C@@H](C)c1ccc2c(c1)OCCC2.[Y]
InChIInChI=1S/C15H21NO.Y/c1-4-16(5-2)12(3)14-9-8-13-7-6-10-17-15(13)11-14;/h8-9,11-12H,1-2,4-7,10H2,3H3;/q-2;/t12-;/m0./s1
InChIKeyPYSCTZMKDRXRPV-YDALLXLXSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 96753008
2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 82605108
methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate
CID 105475565
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
2-[2-(3,4-dihydro-2H-chromen-6-yl)propyl]-7-propan-2-yl-3,4-dihydro-2H-chromene
CID 134351317
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
CID 105426400
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium?
The IUPAC name of (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium (CID 162113135) is (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium.
What is the SMILES notation for (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium?
The canonical SMILES for (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium is [CH2-]CN(C[CH2-])[C@@H](C)c1ccc2c(c1)OCCC2.[Y].
What is the InChIKey of (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium?
The InChIKey is PYSCTZMKDRXRPV-YDALLXLXSA-N. The full InChI is InChI=1S/C15H21NO.Y/c1-4-16(5-2)12(3)14-9-8-13-7-6-10-17-15(13)11-14;/h8-9,11-12H,1-2,4-7,10H2,3H3;/q-2;/t12-;/m0./s1.
What are the key properties of (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium?
(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium has a molecular weight of 320.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium is sourced from PubChem (CID 162113135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).