1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol

C14H22N2O — CID 114055065

IUPAC1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
SMILESCCNCc1cc(C)ccc1N1CCC(O)C1
InChIInChI=1S/C14H22N2O/c1-3-15-9-12-8-11(2)4-5-14(12)16-7-6-13(17)10-16/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3
InChIKeySEUVFCDBUYJEDD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol

1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol (PubChem CID 114055065) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
PubChem CID114055065
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
SMILESCCNCc1cc(C)ccc1N1CCC(O)C1
InChIInChI=1S/C14H22N2O/c1-3-15-9-12-8-11(2)4-5-14(12)16-7-6-13(17)10-16/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3
InChIKeySEUVFCDBUYJEDD-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114054867
1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
1-[3-bromo-4-(ethylaminomethyl)phenyl]piperidin-4-ol
CID 114060688
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol (CID 114055065) is 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol is CCNCc1cc(C)ccc1N1CCC(O)C1.
What is the InChIKey of 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol?
The InChIKey is SEUVFCDBUYJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-9-12-8-11(2)4-5-14(12)16-7-6-13(17)10-16/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol?
1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol is sourced from PubChem (CID 114055065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).