1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol

C11H17ClN2O — CID 112561407

IUPAC1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccncc1)CC(O)CCl
InChIInChI=1S/C11H17ClN2O/c1-2-14(9-11(15)7-12)8-10-3-5-13-6-4-10/h3-6,11,15H,2,7-9H2,1H3
InChIKeyHPLLAWDMGYIPSK-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.50
Rot. Bonds6

About 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol

1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol (PubChem CID 112561407) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
PubChem CID112561407
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccncc1)CC(O)CCl
InChIInChI=1S/C11H17ClN2O/c1-2-14(9-11(15)7-12)8-10-3-5-13-6-4-10/h3-6,11,15H,2,7-9H2,1H3
InChIKeyHPLLAWDMGYIPSK-UHFFFAOYSA-N
XLogP1.50
TPSA36.36 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367790
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol (CID 112561407) is 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol is CCN(Cc1ccncc1)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The InChIKey is HPLLAWDMGYIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-2-14(9-11(15)7-12)8-10-3-5-13-6-4-10/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 112561407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).