N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C19H30N2O — CID 84589453

IUPACN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(C)OCc1cccc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C19H30N2O/c1-15(2)22-14-17-6-3-5-16(11-17)13-20-18-8-10-21-9-4-7-19(21)12-18/h3,5-6,11,15,18-20H,4,7-10,12-14H2,1-2H3
InChIKeyDTCALUWAVCLCQH-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.33
Rot. Bonds6

About N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 84589453) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID84589453
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(C)OCc1cccc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C19H30N2O/c1-15(2)22-14-17-6-3-5-16(11-17)13-20-18-8-10-21-9-4-7-19(21)12-18/h3,5-6,11,15,18-20H,4,7-10,12-14H2,1-2H3
InChIKeyDTCALUWAVCLCQH-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

2-(3-{[4-(Benzyloxy)-1-piperidinyl]methyl}phenyl)ethanamine
CID 56904831
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CID 71758143
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
CID 86779501
1-[3-(Trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
CID 23467201
(2R,3S,5R)-5-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-(2-fluoro-5-methylphenyl)oxan-3-amine
CID 90127844
3-[5-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-ylmethyl)-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 122460105
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(5-methyl-1,3-dihydroisoindol-2-yl)oxan-3-amine
CID 134449828
(3S,10bS)-10b-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,1-a]isoindol-3-amine
CID 163596109
2-cyclohexyl-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 65592372
(2S,3R)-1-[(1S)-1-phenylethyl]-2-(3-phenylmethoxypropyl)pyrrolidin-3-amine
CID 11580885
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine
CID 59051523
(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 134948891

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 84589453) is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(C)OCc1cccc(CNC2CCN3CCCC3C2)c1.
What is the InChIKey of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is DTCALUWAVCLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)22-14-17-6-3-5-16(11-17)13-20-18-8-10-21-9-4-7-19(21)12-18/h3,5-6,11,15,18-20H,4,7-10,12-14H2,1-2H3.
What are the key properties of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 302.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 84589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).