N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine

C14H22N2O — CID 54950112

IUPACN-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCOc1ccc(CNC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-15-13-8-9-16(2)11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyPWZQYXWAORRQHM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine

N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 54950112) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID54950112
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCOc1ccc(CNC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-15-13-8-9-16(2)11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyPWZQYXWAORRQHM-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 61462297
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine (CID 54950112) is N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine is CCOc1ccc(CNC2CCN(C)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is PWZQYXWAORRQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-15-13-8-9-16(2)11-13/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54950112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).