N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine

C16H26N2O — CID 115145803

IUPACN-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCCc1ccc(OC)c(N(C)C2CNC(C)(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-6-12-7-8-15(19-5)14(9-12)18(4)13-10-16(2,3)17-11-13/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyXPRBTEBLMZBJHK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine

N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115145803) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115145803
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCCc1ccc(OC)c(N(C)C2CNC(C)(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-6-12-7-8-15(19-5)14(9-12)18(4)13-10-16(2,3)17-11-13/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyXPRBTEBLMZBJHK-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 115145778
N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 115145780
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 115145803) is N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine is CCc1ccc(OC)c(N(C)C2CNC(C)(C)C2)c1.
What is the InChIKey of N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is XPRBTEBLMZBJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-12-7-8-15(19-5)14(9-12)18(4)13-10-16(2,3)17-11-13/h7-9,13,17H,6,10-11H2,1-5H3.
What are the key properties of N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).