1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol

C16H26N2O — CID 112626665

IUPAC1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
SMILESCCNCc1ccc(N2CCC(C(C)O)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-17-10-14-5-6-16(9-12(14)2)18-8-7-15(11-18)13(3)19/h5-6,9,13,15,17,19H,4,7-8,10-11H2,1-3H3
InChIKeySZBWKHUWNFBBKS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds5

About 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol (PubChem CID 112626665) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
PubChem CID112626665
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
SMILESCCNCc1ccc(N2CCC(C(C)O)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-17-10-14-5-6-16(9-12(14)2)18-8-7-15(11-18)13(3)19/h5-6,9,13,15,17,19H,4,7-8,10-11H2,1-3H3
InChIKeySZBWKHUWNFBBKS-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbenzaldehyde
CID 112626083
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 63059803
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
N-[[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 62135677
N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
CID 63158568
N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62134046
1-[4-(chloromethyl)-3-methylphenyl]-4-propan-2-ylpiperidine
CID 103498686

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol (CID 112626665) is 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol is CCNCc1ccc(N2CCC(C(C)O)C2)cc1C.
What is the InChIKey of 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SZBWKHUWNFBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-10-14-5-6-16(9-12(14)2)18-8-7-15(11-18)13(3)19/h5-6,9,13,15,17,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).