2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol

C20H27N3O — CID 109380363

IUPAC2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H27N3O/c1-2-16-5-8-18(9-6-16)19(15-24)21-13-17-7-10-20(22-14-17)23-11-3-4-12-23/h5-10,14,19,21,24H,2-4,11-13,15H2,1H3
InChIKeyAQVYHRQKTWOUKG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol

2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol (PubChem CID 109380363) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
PubChem CID109380363
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H27N3O/c1-2-16-5-8-18(9-6-16)19(15-24)21-13-17-7-10-20(22-14-17)23-11-3-4-12-23/h5-10,14,19,21,24H,2-4,11-13,15H2,1H3
InChIKeyAQVYHRQKTWOUKG-UHFFFAOYSA-N
XLogP3.07
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol with MolForge

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Related Compounds

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125338
4-methyl-1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azepan-4-ol
CID 107405429
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol (CID 109380363) is 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol is CCc1ccc(C(CO)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The InChIKey is AQVYHRQKTWOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-16-5-8-18(9-6-16)19(15-24)21-13-17-7-10-20(22-14-17)23-11-3-4-12-23/h5-10,14,19,21,24H,2-4,11-13,15H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol has a molecular weight of 325.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 109380363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).