2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C19H31ClN2O2 — CID 120908142

IUPAC2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCCCOc1ccc(CN2CCC3(CCNC3)C2)cc1OCC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-11-23-17-6-5-16(12-18(17)22-4-2)13-21-10-8-19(15-21)7-9-20-14-19;/h5-6,12,20H,3-4,7-11,13-15H2,1-2H3;1H
InChIKeyCKHYCOQZYCAYTQ-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.48
Rot. Bonds7

About 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908142) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908142
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCCCOc1ccc(CN2CCC3(CCNC3)C2)cc1OCC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-11-23-17-6-5-16(12-18(17)22-4-2)13-21-10-8-19(15-21)7-9-20-14-19;/h5-6,12,20H,3-4,7-11,13-15H2,1-2H3;1H
InChIKeyCKHYCOQZYCAYTQ-UHFFFAOYSA-N
XLogP3.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-Dimethoxy-benzylamino)-propan-1-ol
CID 2048402
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 2250212
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 2998792
1-(3-Ethoxy-4-methoxybenzyl)azepane
CID 764455
N-(4-ethoxy-3-methoxybenzyl)cyclooctanamine hydrochloride
CID 2993164
1-(3,4-Dimethoxybenzyl)pyrrolidine
CID 211262
1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 10202030
N-n-propyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride
CID 18986852
2-(3,4-Dimethoxy-benzylamino)-ethanol
CID 299816
1-[(2,3-Dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 4962261
3,4-Dimethoxy-N-methylbenzylamine
CID 592161
2-(3,4-Dimethoxyphenyl)pyrrolidine
CID 3510885

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908142) is 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is CCCOc1ccc(CN2CCC3(CCNC3)C2)cc1OCC.Cl.
What is the InChIKey of 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is CKHYCOQZYCAYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-3-11-23-17-6-5-16(12-18(17)22-4-2)13-21-10-8-19(15-21)7-9-20-14-19;/h5-6,12,20H,3-4,7-11,13-15H2,1-2H3;1H.
What are the key properties of 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).