3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride

C14H17ClN2O2 — CID 170875135

IUPAC3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C14H16N2O2.ClH/c15-13(8-9-17)11-6-7-14(16-10-11)18-12-4-2-1-3-5-12;/h1-7,10,13,17H,8-9,15H2;1H
InChIKeyRTTAMNCCERPDRV-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.68
Rot. Bonds5

About 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride

3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 170875135) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
PubChem CID170875135
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C14H16N2O2.ClH/c15-13(8-9-17)11-6-7-14(16-10-11)18-12-4-2-1-3-5-12;/h1-7,10,13,17H,8-9,15H2;1H
InChIKeyRTTAMNCCERPDRV-UHFFFAOYSA-N
XLogP2.68
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
CID 171198479
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride (CID 170875135) is 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is RTTAMNCCERPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c15-13(8-9-17)11-6-7-14(16-10-11)18-12-4-2-1-3-5-12;/h1-7,10,13,17H,8-9,15H2;1H.
What are the key properties of 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride?
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170875135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).