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

C16H26N2O — CID 81301037

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)N(C)C1
InChIInChI=1S/C16H26N2O/c1-11-6-7-16(19-5)15(8-11)13(3)17-14-9-12(2)18(4)10-14/h6-8,12-14,17H,9-10H2,1-5H3
InChIKeyZQARMSHLVNRCEW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds4

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81301037) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81301037
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)N(C)C1
InChIInChI=1S/C16H26N2O/c1-11-6-7-16(19-5)15(8-11)13(3)17-14-9-12(2)18(4)10-14/h6-8,12-14,17H,9-10H2,1-5H3
InChIKeyZQARMSHLVNRCEW-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665452
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81301037) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is COc1ccc(C)cc1C(C)NC1CC(C)N(C)C1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is ZQARMSHLVNRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-6-7-16(19-5)15(8-11)13(3)17-14-9-12(2)18(4)10-14/h6-8,12-14,17H,9-10H2,1-5H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 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]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).