2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol

C13H21ClN2O2 — CID 71857541

IUPAC2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol
SMILESCOCCN(Cc1ccncc1Cl)C(C)(C)CO
InChIInChI=1S/C13H21ClN2O2/c1-13(2,10-17)16(6-7-18-3)9-11-4-5-15-8-12(11)14/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyGAIQIGUTSSIGAQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.95
Rot. Bonds7

About 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol

2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol (PubChem CID 71857541) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol
PubChem CID71857541
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol
SMILESCOCCN(Cc1ccncc1Cl)C(C)(C)CO
InChIInChI=1S/C13H21ClN2O2/c1-13(2,10-17)16(6-7-18-3)9-11-4-5-15-8-12(11)14/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyGAIQIGUTSSIGAQ-UHFFFAOYSA-N
XLogP1.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol (CID 71857541) is 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol is COCCN(Cc1ccncc1Cl)C(C)(C)CO.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The InChIKey is GAIQIGUTSSIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-13(2,10-17)16(6-7-18-3)9-11-4-5-15-8-12(11)14/h4-5,8,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol?
2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol has a molecular weight of 272.78 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 71857541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).