N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline

C19H29NO4 — CID 167981629

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
SMILESCOC1(CNc2cccc(C3OC(C)(C)C(C)(C)O3)c2)CCOC1
InChIInChI=1S/C19H29NO4/c1-17(2)18(3,4)24-16(23-17)14-7-6-8-15(11-14)20-12-19(21-5)9-10-22-13-19/h6-8,11,16,20H,9-10,12-13H2,1-5H3
InChIKeySRQAIALLZMWDGR-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline

N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline (PubChem CID 167981629) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
PubChem CID167981629
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
SMILESCOC1(CNc2cccc(C3OC(C)(C)C(C)(C)O3)c2)CCOC1
InChIInChI=1S/C19H29NO4/c1-17(2)18(3,4)24-16(23-17)14-7-6-8-15(11-14)20-12-19(21-5)9-10-22-13-19/h6-8,11,16,20H,9-10,12-13H2,1-5H3
InChIKeySRQAIALLZMWDGR-UHFFFAOYSA-N
XLogP3.51
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline with MolForge

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Related Compounds

2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
CID 104759004
N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 104759729
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 104762720
6-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104762670
4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carbothioamide
CID 104761878
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
CID 114478239
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
CID 104705688
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
4-methoxy-1-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,2-diamine
CID 104758953

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline (CID 167981629) is N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline is COC1(CNc2cccc(C3OC(C)(C)C(C)(C)O3)c2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline?
The InChIKey is SRQAIALLZMWDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-17(2)18(3,4)24-16(23-17)14-7-6-8-15(11-14)20-12-19(21-5)9-10-22-13-19/h6-8,11,16,20H,9-10,12-13H2,1-5H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline?
N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline has a molecular weight of 335.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline is sourced from PubChem (CID 167981629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).