1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol

C16H26N2O2 — CID 115965705

IUPAC1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCOCCNCc1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(19)15-7-9-18(12-15)16-5-3-14(4-6-16)11-17-8-10-20-2/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyIOAQKCQDMLJEAL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.63
Rot. Bonds7

About 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 115965705) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol
PubChem CID115965705
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCOCCNCc1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(19)15-7-9-18(12-15)16-5-3-14(4-6-16)11-17-8-10-20-2/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyIOAQKCQDMLJEAL-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63636043
N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058970
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 64597384
1-methoxy-4-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 103876281
2-methoxy-N-[[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63071711
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
N-[[4-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913300
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol (CID 115965705) is 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol is COCCNCc1ccc(N2CCC(C(C)O)C2)cc1.
What is the InChIKey of 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is IOAQKCQDMLJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(19)15-7-9-18(12-15)16-5-3-14(4-6-16)11-17-8-10-20-2/h3-6,13,15,17,19H,7-12H2,1-2H3.
What are the key properties of 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115965705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).