2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine

C16H25NO3 — CID 106658628

IUPAC2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
SMILESCc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyAINMKVHONSHBIA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.35
Rot. Bonds4

About 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine (PubChem CID 106658628) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
PubChem CID106658628
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
SMILESCc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyAINMKVHONSHBIA-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
N-(2-methyl-4-propan-2-yloxyphenyl)-1-oxothian-4-amine
CID 54981487
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
CID 54865516
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
N-(2-methyl-4-propan-2-yloxyphenyl)-1,1-dioxothian-3-amine
CID 63922032
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658503
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658341
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
N-(2,4-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658270
N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853997

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine (CID 106658628) is 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine is Cc1cc(OC(C)C)ccc1NC1COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
The InChIKey is AINMKVHONSHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)20-14-6-7-15(12(3)8-14)17-13-9-18-16(4,5)19-10-13/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine has a molecular weight of 279.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).