1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol

C15H22Cl2N2O — CID 60900313

IUPAC1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
SMILESCCN1CCCC1CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-19-7-3-4-12(19)9-18-10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12,15,18,20H,2-4,7,9-10H2,1H3
InChIKeyBCYNXOXPLKHHQD-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.10
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol

1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol (PubChem CID 60900313) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
PubChem CID60900313
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
SMILESCCN1CCCC1CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-19-7-3-4-12(19)9-18-10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12,15,18,20H,2-4,7,9-10H2,1H3
InChIKeyBCYNXOXPLKHHQD-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 98790527
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
N-[[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51986945
1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 63490841
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215860

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol (CID 60900313) is 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol is CCN1CCCC1CNCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The InChIKey is BCYNXOXPLKHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-19-7-3-4-12(19)9-18-10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12,15,18,20H,2-4,7,9-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol has a molecular weight of 317.26 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol is sourced from PubChem (CID 60900313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).