2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine

C13H21ClN2O2 — CID 103174030

IUPAC2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine
SMILESCCCC(Cl)CNCc1nccc(OC)c1OC
InChIInChI=1S/C13H21ClN2O2/c1-4-5-10(14)8-15-9-11-13(18-3)12(17-2)6-7-16-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyRMVVSQHMIBRNNU-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.60
Rot. Bonds8

About 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine

2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine (PubChem CID 103174030) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine
PubChem CID103174030
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine
SMILESCCCC(Cl)CNCc1nccc(OC)c1OC
InChIInChI=1S/C13H21ClN2O2/c1-4-5-10(14)8-15-9-11-13(18-3)12(17-2)6-7-16-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyRMVVSQHMIBRNNU-UHFFFAOYSA-N
XLogP2.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103172692
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxypropan-2-amine
CID 106180582
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine (CID 103174030) is 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine is CCCC(Cl)CNCc1nccc(OC)c1OC.
What is the InChIKey of 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine?
The InChIKey is RMVVSQHMIBRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-4-5-10(14)8-15-9-11-13(18-3)12(17-2)6-7-16-11/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine?
2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine has a molecular weight of 272.78 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 103174030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).