N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine

C11H17ClN2O — CID 115683665

IUPACN-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-9(5-6-15-2)13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyFJSVJSUPEOEOLK-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.25
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine (PubChem CID 115683665) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
PubChem CID115683665
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-9(5-6-15-2)13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyFJSVJSUPEOEOLK-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine 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-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 103740251
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-chloro-5-(4-methoxybutan-2-yloxy)pyridine
CID 116500414
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
N-[(6-chloro-3-pyridinyl)methyl]hex-5-yn-3-amine
CID 115683729
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine (CID 115683665) is N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is FJSVJSUPEOEOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-9(5-6-15-2)13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine has a molecular weight of 228.72 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 115683665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).