(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

C19H30N2O2 — CID 70740408

IUPAC(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCc1ccc(C)c(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c1
InChIInChI=1S/C19H30N2O2/c1-14-3-4-15(2)16(11-14)13-21-8-5-19(6-9-21)17(22)12-18(19)23-10-7-20/h3-4,11,17-18,22H,5-10,12-13,20H2,1-2H3/t17-,18+/m1/s1
InChIKeyGHARXNXPLUSJOY-MSOLQXFVSA-N
MW318.46 g/mol
LogP1.99
Rot. Bonds5

About (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70740408) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID70740408
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCc1ccc(C)c(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c1
InChIInChI=1S/C19H30N2O2/c1-14-3-4-15(2)16(11-14)13-21-8-5-19(6-9-21)17(22)12-18(19)23-10-7-20/h3-4,11,17-18,22H,5-10,12-13,20H2,1-2H3/t17-,18+/m1/s1
InChIKeyGHARXNXPLUSJOY-MSOLQXFVSA-N
XLogP1.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol with MolForge

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Related Compounds

rel-(1R,3S)-3-(2-aminoethoxy)-7-(2,6-difluorobenzyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 70712847
(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 70716941
(1R*,3S*)-7-(3-methylbenzyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72910769
[1-[(3,4-Dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 86817556
3-(2-Aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 77899254
3-Ethoxy-7-[(4-fluoro-3-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 109935243
3-Ethoxy-7-[(3-fluoro-4-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 109935280
3-Ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457215
3-Ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 121531390
(1S,3R)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 124614868
(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 124614869
(1R,3R)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 124614870

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 70740408) is (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is Cc1ccc(C)c(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c1.
What is the InChIKey of (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is GHARXNXPLUSJOY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-3-4-15(2)16(11-14)13-21-8-5-19(6-9-21)17(22)12-18(19)23-10-7-20/h3-4,11,17-18,22H,5-10,12-13,20H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70740408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).