N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C15H24N2O — CID 115208258

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCN2)cc1C
InChIInChI=1S/C15H24N2O/c1-3-18-15-7-6-13(9-12(15)2)10-16-11-14-5-4-8-17-14/h6-7,9,14,16-17H,3-5,8,10-11H2,1-2H3
InChIKeyMHUGSENYXTWBLJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.24
Rot. Bonds6

About N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208258) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208258
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCN2)cc1C
InChIInChI=1S/C15H24N2O/c1-3-18-15-7-6-13(9-12(15)2)10-16-11-14-5-4-8-17-14/h6-7,9,14,16-17H,3-5,8,10-11H2,1-2H3
InChIKeyMHUGSENYXTWBLJ-UHFFFAOYSA-N
XLogP2.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208258) is N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is CCOc1ccc(CNCC2CCCN2)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is MHUGSENYXTWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-7-6-13(9-12(15)2)10-16-11-14-5-4-8-17-14/h6-7,9,14,16-17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).