1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C16H23NO2 — CID 104759669

IUPAC1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2ccc(C3CC3)cc2)CCOC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-9-19-12-16)11-17-10-13-2-4-14(5-3-13)15-6-7-15/h2-5,15,17H,6-12H2,1H3
InChIKeyCHAFKAODDOLDMY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104759669) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104759669
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2ccc(C3CC3)cc2)CCOC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-9-19-12-16)11-17-10-13-2-4-14(5-3-13)15-6-7-15/h2-5,15,17H,6-12H2,1H3
InChIKeyCHAFKAODDOLDMY-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
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
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104759669) is 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2ccc(C3CC3)cc2)CCOC1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is CHAFKAODDOLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-16(8-9-19-12-16)11-17-10-13-2-4-14(5-3-13)15-6-7-15/h2-5,15,17H,6-12H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104759669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).