1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

C15H23ClN2O2 — CID 103173977

IUPAC1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCC2CCCC2CCl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-19-14-6-7-18-13(15(14)20-2)10-17-9-12-5-3-4-11(12)8-16/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyPKKRBZHQQQHIKE-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (PubChem CID 103173977) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
PubChem CID103173977
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCC2CCCC2CCl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-19-14-6-7-18-13(15(14)20-2)10-17-9-12-5-3-4-11(12)8-16/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyPKKRBZHQQQHIKE-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.84
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]-1-(1-methylpiperidin-2-yl)methanamine
CID 103172390
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371845
2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
CID 103173606
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
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]-2-methylpropan-2-amine
CID 103173955
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine
CID 103174030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (CID 103173977) is 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is COc1ccnc(CNCC2CCCC2CCl)c1OC.
What is the InChIKey of 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The InChIKey is PKKRBZHQQQHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-19-14-6-7-18-13(15(14)20-2)10-17-9-12-5-3-4-11(12)8-16/h6-7,11-12,17H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine has a molecular weight of 298.81 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 103173977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).