N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

C18H29NO2 — CID 79907759

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-9-15(20-7)14(10-12)13(2)19-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3
InChIKeyYSWRKTJGEQAFPI-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79907759) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79907759
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-9-15(20-7)14(10-12)13(2)19-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3
InChIKeyYSWRKTJGEQAFPI-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4,4-dimethylthian-3-amine
CID 79948000
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81352114
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79907759) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is COc1ccc(C)cc1C(C)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is YSWRKTJGEQAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-8-9-15(20-7)14(10-12)13(2)19-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79907759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).