N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine

C11H17ClN2O — CID 115704342

IUPACN-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O/c1-8(7-15-3)14-9(2)10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFMHQXOKXVREPFZ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine

N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 115704342) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine
PubChem CID115704342
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O/c1-8(7-15-3)14-9(2)10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFMHQXOKXVREPFZ-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chloro-3-pyridinyl)ethyl]-4-methoxybutan-2-amine
CID 115715554
N-[1-(2-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896481
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
N-[1-(2-chloro-3-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
CID 115716772
2-chloro-3-(diethoxymethyl)pyridine
CID 139621057
(3R)-3-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propan-1-ol
CID 97174936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine (CID 115704342) is N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1cccnc1Cl.
What is the InChIKey of N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is FMHQXOKXVREPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(7-15-3)14-9(2)10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 228.72 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115704342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).