N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C14H20ClNO3 — CID 106657991

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1cc(Cl)c(C)cc1NC1COC(C)(C)OC1
InChIInChI=1S/C14H20ClNO3/c1-9-5-12(13(17-4)6-11(9)15)16-10-7-18-14(2,3)19-8-10/h5-6,10,16H,7-8H2,1-4H3
InChIKeySOCNAJVTLLXSDY-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.22
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106657991) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106657991
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCOc1cc(Cl)c(C)cc1NC1COC(C)(C)OC1
InChIInChI=1S/C14H20ClNO3/c1-9-5-12(13(17-4)6-11(9)15)16-10-7-18-14(2,3)19-8-10/h5-6,10,16H,7-8H2,1-4H3
InChIKeySOCNAJVTLLXSDY-UHFFFAOYSA-N
XLogP3.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine with MolForge

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Related Compounds

4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
4-chloro-2-methoxy-5-methyl-N-(3-phenylcyclobutyl)aniline
CID 43632094
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
N-(4-bromo-2-methoxy-6-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658613
N-(2-methoxy-5-nitrophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658389
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658503
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658341
4-chloro-2-methoxy-5-methyl-N-(3-methylbut-3-enyl)aniline
CID 114471885
4-(4-chloro-2-methoxy-5-methylanilino)azepan-2-one
CID 63903695

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106657991) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is COc1cc(Cl)c(C)cc1NC1COC(C)(C)OC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is SOCNAJVTLLXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9-5-12(13(17-4)6-11(9)15)16-10-7-18-14(2,3)19-8-10/h5-6,10,16H,7-8H2,1-4H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 285.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106657991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).