N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine

C17H27NO2 — CID 104705116

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCOC1(CNCc2ccc(CC(C)C)cc2)CCOC1
InChIInChI=1S/C17H27NO2/c1-14(2)10-15-4-6-16(7-5-15)11-18-12-17(19-3)8-9-20-13-17/h4-7,14,18H,8-13H2,1-3H3
InChIKeyWJRBVFILYTWPAS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 104705116) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID104705116
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCOC1(CNCc2ccc(CC(C)C)cc2)CCOC1
InChIInChI=1S/C17H27NO2/c1-14(2)10-15-4-6-16(7-5-15)11-18-12-17(19-3)8-9-20-13-17/h4-7,14,18H,8-13H2,1-3H3
InChIKeyWJRBVFILYTWPAS-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine with MolForge

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
1-(3,4-dibromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443345
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
1-(3-bromo-4-methylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705138
1-(4-bromo-3-chlorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103581860
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine (CID 104705116) is N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine is COC1(CNCc2ccc(CC(C)C)cc2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is WJRBVFILYTWPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)10-15-4-6-16(7-5-15)11-18-12-17(19-3)8-9-20-13-17/h4-7,14,18H,8-13H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 104705116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).