N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine

C15H23NO3 — CID 81101195

IUPACN-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCC2CCOCO2)cc1
InChIInChI=1S/C15H23NO3/c1-12-3-5-14(6-4-12)18-10-13(2)16-9-15-7-8-17-11-19-15/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyTVWPCLSXNVWXQT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds6

About N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine

N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine (PubChem CID 81101195) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
PubChem CID81101195
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCC2CCOCO2)cc1
InChIInChI=1S/C15H23NO3/c1-12-3-5-14(6-4-12)18-10-13(2)16-9-15-7-8-17-11-19-15/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyTVWPCLSXNVWXQT-UHFFFAOYSA-N
XLogP2.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
3,3-difluoro-5-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]oxolan-2-one
CID 106492452
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
CID 61166948
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
CID 81100857

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine (CID 81101195) is N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OCC(C)NCC2CCOCO2)cc1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is TVWPCLSXNVWXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-3-5-14(6-4-12)18-10-13(2)16-9-15-7-8-17-11-19-15/h3-6,13,15-16H,7-11H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine?
N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 81101195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).