N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine

C16H25NO2 — CID 10491810

IUPACN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine
SMILESCC1(C)OCC(CNC(C)(C)c2ccccc2)CO1
InChIInChI=1S/C16H25NO2/c1-15(2,14-8-6-5-7-9-14)17-10-13-11-18-16(3,4)19-12-13/h5-9,13,17H,10-12H2,1-4H3
InChIKeyDEKNNDORBKEJTE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine

N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine (PubChem CID 10491810) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine
PubChem CID10491810
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine
SMILESCC1(C)OCC(CNC(C)(C)c2ccccc2)CO1
InChIInChI=1S/C16H25NO2/c1-15(2,14-8-6-5-7-9-14)17-10-13-11-18-16(3,4)19-12-13/h5-9,13,17H,10-12H2,1-4H3
InChIKeyDEKNNDORBKEJTE-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
CID 164671822
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 47084874
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 107389192
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 115607535
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
CID 104585329
2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine (CID 10491810) is N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine is CC1(C)OCC(CNC(C)(C)c2ccccc2)CO1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine?
The InChIKey is DEKNNDORBKEJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,14-8-6-5-7-9-14)17-10-13-11-18-16(3,4)19-12-13/h5-9,13,17H,10-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine?
N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 10491810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).