N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C14H22N2O — CID 115208247

IUPACN-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-2-17-14-7-5-12(6-8-14)10-15-11-13-4-3-9-16-13/h5-8,13,15-16H,2-4,9-11H2,1H3
InChIKeyLENODFCXPJJFQJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208247) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208247
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-2-17-14-7-5-12(6-8-14)10-15-11-13-4-3-9-16-13/h5-8,13,15-16H,2-4,9-11H2,1H3
InChIKeyLENODFCXPJJFQJ-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
N-[(4-ethoxyphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80599864
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208247) is N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is CCOc1ccc(CNCC2CCCN2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is LENODFCXPJJFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-14-7-5-12(6-8-14)10-15-11-13-4-3-9-16-13/h5-8,13,15-16H,2-4,9-11H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).