N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine

C17H28N2O — CID 91829662

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
SMILESCc1ccc(OCCN(C)CC[C@H]2CCCN2C)cc1
InChIInChI=1S/C17H28N2O/c1-15-6-8-17(9-7-15)20-14-13-18(2)12-10-16-5-4-11-19(16)3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m1/s1
InChIKeyWEJKIQMPZFBUSL-MRXNPFEDSA-N
MW276.42 g/mol
LogP2.79
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine (PubChem CID 91829662) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
PubChem CID91829662
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
SMILESCc1ccc(OCCN(C)CC[C@H]2CCCN2C)cc1
InChIInChI=1S/C17H28N2O/c1-15-6-8-17(9-7-15)20-14-13-18(2)12-10-16-5-4-11-19(16)3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m1/s1
InChIKeyWEJKIQMPZFBUSL-MRXNPFEDSA-N
XLogP2.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 12923050

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine (CID 91829662) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine is Cc1ccc(OCCN(C)CC[C@H]2CCCN2C)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine?
The InChIKey is WEJKIQMPZFBUSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-6-8-17(9-7-15)20-14-13-18(2)12-10-16-5-4-11-19(16)3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m1/s1.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 91829662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).