3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol

C10H15ClN2O — CID 111543545

IUPAC3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2O/c1-13(5-2-6-14)8-9-3-4-10(11)12-7-9/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXCIKIPRDYIALDC-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.55
Rot. Bonds5

About 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol

3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol (PubChem CID 111543545) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
PubChem CID111543545
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2O/c1-13(5-2-6-14)8-9-3-4-10(11)12-7-9/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXCIKIPRDYIALDC-UHFFFAOYSA-N
XLogP1.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.55
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

3-[N-[(6-chloro-3-pyridinyl)methyl]anilino]propan-1-ol
CID 111859985
tert-butyl N-[(6-chloro-3-pyridinyl)methyl]-N-(3-hydroxypropyl)carbamate
CID 86632446
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
CID 55537534
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
3-[(6-chloro-3-pyridinyl)methyl]-1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)urea
CID 111106507
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol (CID 111543545) is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol is CN(CCCO)Cc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The InChIKey is XCIKIPRDYIALDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(5-2-6-14)8-9-3-4-10(11)12-7-9/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 111543545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).