N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine

C18H29NO2 — CID 62382237

IUPACN-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(COCC2CCOCC2)NC)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-15-5-7-17(8-6-15)18(19-2)14-21-13-16-9-11-20-12-10-16/h5-8,16,18-19H,3-4,9-14H2,1-2H3
InChIKeyTZKAQVKHUDWGBZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds8

About N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine

N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine (PubChem CID 62382237) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
PubChem CID62382237
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(COCC2CCOCC2)NC)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-15-5-7-17(8-6-15)18(19-2)14-21-13-16-9-11-20-12-10-16/h5-8,16,18-19H,3-4,9-14H2,1-2H3
InChIKeyTZKAQVKHUDWGBZ-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62382048
N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 82735589
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
CID 62383936
2-(cyclopentylmethoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66321330
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine (CID 62382237) is N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(COCC2CCOCC2)NC)cc1.
What is the InChIKey of N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine?
The InChIKey is TZKAQVKHUDWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-15-5-7-17(8-6-15)18(19-2)14-21-13-16-9-11-20-12-10-16/h5-8,16,18-19H,3-4,9-14H2,1-2H3.
What are the key properties of N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine?
N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 62382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).