N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine

C16H25NO2 — CID 105018242

IUPACN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccccc1OC(C)C)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-11(2)19-14-8-6-5-7-13(14)15(17-4)16-12(3)9-10-18-16/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyIFYRWQKKBSQXKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds5

About N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine

N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018242) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018242
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccccc1OC(C)C)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-11(2)19-14-8-6-5-7-13(14)15(17-4)16-12(3)9-10-18-16/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyIFYRWQKKBSQXKK-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine 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

[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine (CID 105018242) is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine is CNC(c1ccccc1OC(C)C)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is IFYRWQKKBSQXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)19-14-8-6-5-7-13(14)15(17-4)16-12(3)9-10-18-16/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).