N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine

C17H27NO2 — CID 79368826

IUPACN-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18-11-15-8-9-19-17(15)14-6-5-7-16(10-14)20-13(3)4/h5-7,10,12-13,15,17-18H,8-9,11H2,1-4H3
InChIKeyAZIIUVRYQRCHFP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds6

About N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368826) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368826
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18-11-15-8-9-19-17(15)14-6-5-7-16(10-14)20-13(3)4/h5-7,10,12-13,15,17-18H,8-9,11H2,1-4H3
InChIKeyAZIIUVRYQRCHFP-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79368351
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
CID 79365153
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79368826) is N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCOC1c1cccc(OC(C)C)c1.
What is the InChIKey of N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is AZIIUVRYQRCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)18-11-15-8-9-19-17(15)14-6-5-7-16(10-14)20-13(3)4/h5-7,10,12-13,15,17-18H,8-9,11H2,1-4H3.
What are the key properties of N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).