N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine

C16H25NO2 — CID 115853352

IUPACN-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2OCCC2C)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-18-14-7-5-13(6-8-14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyUTTVBDNHIJOAAO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine

N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine (PubChem CID 115853352) 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-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine
PubChem CID115853352
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2OCCC2C)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-18-14-7-5-13(6-8-14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyUTTVBDNHIJOAAO-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(4-propoxyphenyl)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

N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
[(2-methylcyclopropyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105235034
[(4-cyclopropyloxyphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105341053
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
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-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
CID 115856531
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine (CID 115853352) is N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)C2OCCC2C)cc1.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine?
The InChIKey is UTTVBDNHIJOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-18-14-7-5-13(6-8-14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine?
N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 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-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).