2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol

C11H18ClN3O — CID 107055329

IUPAC2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nccc(CN)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)11-10(12)9(7-13)3-4-14-11/h3-4,8,16H,5-7,13H2,1-2H3
InChIKeyQULCFAIMEOODBH-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.40
Rot. Bonds5

About 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol

2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol (PubChem CID 107055329) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
PubChem CID107055329
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nccc(CN)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)11-10(12)9(7-13)3-4-14-11/h3-4,8,16H,5-7,13H2,1-2H3
InChIKeyQULCFAIMEOODBH-UHFFFAOYSA-N
XLogP1.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
CID 106541350
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol (CID 107055329) is 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol is CC(C)N(CCO)c1nccc(CN)c1Cl.
What is the InChIKey of 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol?
The InChIKey is QULCFAIMEOODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15(5-6-16)11-10(12)9(7-13)3-4-14-11/h3-4,8,16H,5-7,13H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol?
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol has a molecular weight of 243.74 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 107055329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).