N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine

C12H17ClN2 — CID 115728805

IUPACN-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
SMILESCC(NCCc1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H17ClN2/c1-9(11-3-4-11)14-7-6-10-2-5-12(13)15-8-10/h2,5,8-9,11,14H,3-4,6-7H2,1H3
InChIKeyRVRFRYJHHSPVMO-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine

N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine (PubChem CID 115728805) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
PubChem CID115728805
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
SMILESCC(NCCc1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H17ClN2/c1-9(11-3-4-11)14-7-6-10-2-5-12(13)15-8-10/h2,5,8-9,11,14H,3-4,6-7H2,1H3
InChIKeyRVRFRYJHHSPVMO-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
CID 115728798
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896493
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
CID 97229301
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
CID 115676904

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine (CID 115728805) is N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine is CC(NCCc1ccc(Cl)nc1)C1CC1.
What is the InChIKey of N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine?
The InChIKey is RVRFRYJHHSPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(11-3-4-11)14-7-6-10-2-5-12(13)15-8-10/h2,5,8-9,11,14H,3-4,6-7H2,1H3.
What are the key properties of N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine?
N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 115728805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).