N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine

C11H17ClN2O — CID 79038272

IUPACN-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-14(7-4-8-15-2)9-10-5-3-6-11(12)13-10/h3,5-6H,4,7-9H2,1-2H3
InChIKeyYUBMSGPOHNHQBM-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.20
Rot. Bonds6

About N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine

N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 79038272) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID79038272
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-14(7-4-8-15-2)9-10-5-3-6-11(12)13-10/h3,5-6H,4,7-9H2,1-2H3
InChIKeyYUBMSGPOHNHQBM-UHFFFAOYSA-N
XLogP2.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 79039990
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493
N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
CID 130612866
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
N-[(6-chloro-2-pyridinyl)methyl]-N-methylpentan-3-amine
CID 79240734
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
5-[[3-methoxypropyl(methyl)amino]methyl]pyridin-2-amine
CID 63007737
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine (CID 79038272) is N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine is COCCCN(C)Cc1cccc(Cl)n1.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is YUBMSGPOHNHQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(7-4-8-15-2)9-10-5-3-6-11(12)13-10/h3,5-6H,4,7-9H2,1-2H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 228.72 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 79038272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).