[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol

C12H17ClN2O — CID 115776769

IUPAC[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-2-3-11(13)14-6-10)15-7-12(8-16)4-5-12/h2-3,6,9,15-16H,4-5,7-8H2,1H3
InChIKeyYPGSPRODSTUGKX-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.16
Rot. Bonds5

About [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol

[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115776769) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115776769
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-2-3-11(13)14-6-10)15-7-12(8-16)4-5-12/h2-3,6,9,15-16H,4-5,7-8H2,1H3
InChIKeyYPGSPRODSTUGKX-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
[1-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexyl]methanol
CID 115892911
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 102612886
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
CID 115920873

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol (CID 115776769) is [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol is CC(NCC1(CO)CC1)c1ccc(Cl)nc1.
What is the InChIKey of [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is YPGSPRODSTUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(10-2-3-11(13)14-6-10)15-7-12(8-16)4-5-12/h2-3,6,9,15-16H,4-5,7-8H2,1H3.
What are the key properties of [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115776769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).