2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol

C12H17ClN2O — CID 114756635

IUPAC2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-8-14-5-1-10(11)7-15-9-12(2-3-12)4-6-16/h1,5,8,15-16H,2-4,6-7,9H2
InChIKeyIURONMSZUSCHRH-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.99
Rot. Bonds6

About 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114756635) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114756635
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-8-14-5-1-10(11)7-15-9-12(2-3-12)4-6-16/h1,5,8,15-16H,2-4,6-7,9H2
InChIKeyIURONMSZUSCHRH-UHFFFAOYSA-N
XLogP1.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
CID 66024332
[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230962
2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114757045
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
CID 114756649
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 104954541
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol (CID 114756635) is 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2ccncc2Cl)CC1.
What is the InChIKey of 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is IURONMSZUSCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-8-14-5-1-10(11)7-15-9-12(2-3-12)4-6-16/h1,5,8,15-16H,2-4,6-7,9H2.
What are the key properties of 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 240.73 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).