N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C15H23NO3 — CID 104787578

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCC1COC(C)(C)O1
InChIInChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-9-12-10-18-15(2,3)19-12/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyVTIJIMTUOXWNHB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 104787578) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID104787578
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCC1COC(C)(C)O1
InChIInChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-9-12-10-18-15(2,3)19-12/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyVTIJIMTUOXWNHB-UHFFFAOYSA-N
XLogP2.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 107386619
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 107386677
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
CID 107715527
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 107386572
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 107386127
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
CID 107389367
(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane
CID 18645650

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 104787578) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is VTIJIMTUOXWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(13-7-5-6-8-14(13)17-4)16-9-12-10-18-15(2,3)19-12/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 104787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).