N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

C15H23NO3 — CID 104585233

IUPACN-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccccc1C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-12-9-18-15(2,3)19-10-12/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyZSYYNBNBMRVSCU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 104585233) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID104585233
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1ccccc1C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-12-9-18-15(2,3)19-10-12/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyZSYYNBNBMRVSCU-UHFFFAOYSA-N
XLogP2.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104787578
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 104585233) is N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is COc1ccccc1C(C)NC1COC(C)(C)OC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is ZSYYNBNBMRVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-12-9-18-15(2,3)19-10-12/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 265.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 104585233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).