[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C14H22N2O — CID 117341070

IUPAC[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H22N2O/c1-3-17-13-6-4-5-12(8-13)14-7-11(9-15)10-16(14)2/h4-6,8,11,14H,3,7,9-10,15H2,1-2H3
InChIKeyVLWXQUPUOZDANQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds4

About [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117341070) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117341070
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H22N2O/c1-3-17-13-6-4-5-12(8-13)14-7-11(9-15)10-16(14)2/h4-6,8,11,14H,3,7,9-10,15H2,1-2H3
InChIKeyVLWXQUPUOZDANQ-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117384340
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]ethane-1,2-diol
CID 117379648
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475472
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117341070) is [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CCOc1cccc(C2CC(CN)CN2C)c1.
What is the InChIKey of [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VLWXQUPUOZDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-13-6-4-5-12(8-13)14-7-11(9-15)10-16(14)2/h4-6,8,11,14H,3,7,9-10,15H2,1-2H3.
What are the key properties of [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117341070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).