N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

C16H26N2O2 — CID 81301022

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-8-13(10-18(11)3)17-12(2)15-9-14(19-4)6-7-16(15)20-5/h6-7,9,11-13,17H,8,10H2,1-5H3
InChIKeyUPGVXWLFAIVMSB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81301022) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81301022
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-8-13(10-18(11)3)17-12(2)15-9-14(19-4)6-7-16(15)20-5/h6-7,9,11-13,17H,8,10H2,1-5H3
InChIKeyUPGVXWLFAIVMSB-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467101
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 119164773
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665452
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75471469
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81301022) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is COc1ccc(OC)c(C(C)NC2CC(C)N(C)C2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is UPGVXWLFAIVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-13(10-18(11)3)17-12(2)15-9-14(19-4)6-7-16(15)20-5/h6-7,9,11-13,17H,8,10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81301022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).