N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine

C15H24N2O — CID 115118996

IUPACN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1cc(C)c(C)cc1CCNC1CCNC1
InChIInChI=1S/C15H24N2O/c1-11-8-13(15(18-3)9-12(11)2)4-7-17-14-5-6-16-10-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyRFKJUQKSQIHJAN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 115118996) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID115118996
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1cc(C)c(C)cc1CCNC1CCNC1
InChIInChI=1S/C15H24N2O/c1-11-8-13(15(18-3)9-12(11)2)4-7-17-14-5-6-16-10-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyRFKJUQKSQIHJAN-UHFFFAOYSA-N
XLogP1.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine (CID 115118996) is N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine is COc1cc(C)c(C)cc1CCNC1CCNC1.
What is the InChIKey of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is RFKJUQKSQIHJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-13(15(18-3)9-12(11)2)4-7-17-14-5-6-16-10-14/h8-9,14,16-17H,4-7,10H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine?
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).