N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine

C16H25NO — CID 114825017

IUPACN-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)C2COC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-5-13-6-8-14(9-7-13)16(17-3)15-10-12(2)18-11-15/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyZRVSQRDRQYKZSU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine

N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine (PubChem CID 114825017) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
PubChem CID114825017
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)C2COC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-5-13-6-8-14(9-7-13)16(17-3)15-10-12(2)18-11-15/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyZRVSQRDRQYKZSU-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
CID 116957004
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 105053875
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine (CID 114825017) is N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)C2COC(C)C2)cc1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine?
The InChIKey is ZRVSQRDRQYKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-13-6-8-14(9-7-13)16(17-3)15-10-12(2)18-11-15/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine?
N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 114825017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).