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

C15H23NO2 — CID 113338525

IUPAC3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
SMILESCC(C)Oc1cccc(CNC2(C)CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)18-14-6-4-5-13(9-14)10-16-15(3)7-8-17-11-15/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyAVNMCHNTGKREQD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds5

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

3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine (PubChem CID 113338525) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
PubChem CID113338525
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
SMILESCC(C)Oc1cccc(CNC2(C)CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)18-14-6-4-5-13(9-14)10-16-15(3)7-8-17-11-15/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyAVNMCHNTGKREQD-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
CID 82714769
2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215134
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine?
The IUPAC name of 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine (CID 113338525) is 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine is CC(C)Oc1cccc(CNC2(C)CCOC2)c1.
What is the InChIKey of 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine?
The InChIKey is AVNMCHNTGKREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)18-14-6-4-5-13(9-14)10-16-15(3)7-8-17-11-15/h4-6,9,12,16H,7-8,10-11H2,1-3H3.
What are the key properties of 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine?
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 113338525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).