3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol

C15H22ClNO3 — CID 65189959

IUPAC3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C15H22ClNO3/c1-19-14-3-2-11(16)8-12(14)13(9-17)15(18)10-4-6-20-7-5-10/h2-3,8,10,13,15,18H,4-7,9,17H2,1H3
InChIKeyOUKRPOSSJDYUOO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.18
Rot. Bonds5

About 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol (PubChem CID 65189959) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
PubChem CID65189959
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C15H22ClNO3/c1-19-14-3-2-11(16)8-12(14)13(9-17)15(18)10-4-6-20-7-5-10/h2-3,8,10,13,15,18H,4-7,9,17H2,1H3
InChIKeyOUKRPOSSJDYUOO-UHFFFAOYSA-N
XLogP2.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65186566
N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide
CID 70801993
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol (CID 65189959) is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol is COc1ccc(Cl)cc1C(CN)C(O)C1CCOCC1.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol?
The InChIKey is OUKRPOSSJDYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-14-3-2-11(16)8-12(14)13(9-17)15(18)10-4-6-20-7-5-10/h2-3,8,10,13,15,18H,4-7,9,17H2,1H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol?
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol has a molecular weight of 299.80 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 65189959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).