4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol

C15H24N2O — CID 113285153

IUPAC4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCNCC1CCCN1C(C)c1cc(C)ccc1O
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)17-8-4-5-13(17)10-16-3/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3
InChIKeyKGKYNNXLSATERJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds4

About 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol

4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 113285153) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
PubChem CID113285153
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCNCC1CCCN1C(C)c1cc(C)ccc1O
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)17-8-4-5-13(17)10-16-3/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3
InChIKeyKGKYNNXLSATERJ-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 63325311
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249528
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 107355064
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol (CID 113285153) is 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol is CNCC1CCCN1C(C)c1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is KGKYNNXLSATERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)17-8-4-5-13(17)10-16-3/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 113285153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).