2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride

C15H24ClNO3 — CID 170893568

IUPAC2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
SMILESCOc1cccc(C2(CC(N)CO)CCOCC2)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-14-4-2-3-12(9-14)15(10-13(16)11-17)5-7-19-8-6-15;/h2-4,9,13,17H,5-8,10-11,16H2,1H3;1H
InChIKeyQSXVCUVCLRRQGT-UHFFFAOYSA-N
MW301.81 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride

2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride (PubChem CID 170893568) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
PubChem CID170893568
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
SMILESCOc1cccc(C2(CC(N)CO)CCOCC2)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-14-4-2-3-12(9-14)15(10-13(16)11-17)5-7-19-8-6-15;/h2-4,9,13,17H,5-8,10-11,16H2,1H3;1H
InChIKeyQSXVCUVCLRRQGT-UHFFFAOYSA-N
XLogP1.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
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CID 62594249
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
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CID 82077265
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1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
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CID 115746890

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride (CID 170893568) is 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride is COc1cccc(C2(CC(N)CO)CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride?
The InChIKey is QSXVCUVCLRRQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-18-14-4-2-3-12(9-14)15(10-13(16)11-17)5-7-19-8-6-15;/h2-4,9,13,17H,5-8,10-11,16H2,1H3;1H.
What are the key properties of 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride?
2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).