3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol

C16H25NO3 — CID 65185434

IUPAC3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C16H25NO3/c1-11-3-4-15(19-2)13(9-11)14(10-17)16(18)12-5-7-20-8-6-12/h3-4,9,12,14,16,18H,5-8,10,17H2,1-2H3
InChIKeyHPTJIDNFOWWHPV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol

3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol (PubChem CID 65185434) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
PubChem CID65185434
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C16H25NO3/c1-11-3-4-15(19-2)13(9-11)14(10-17)16(18)12-5-7-20-8-6-12/h3-4,9,12,14,16,18H,5-8,10,17H2,1-2H3
InChIKeyHPTJIDNFOWWHPV-UHFFFAOYSA-N
XLogP1.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
3-amino-2-(2-methoxy-5-methylphenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65185382
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65186566
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol (CID 65185434) is 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol is COc1ccc(C)cc1C(CN)C(O)C1CCOCC1.
What is the InChIKey of 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The InChIKey is HPTJIDNFOWWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-3-4-15(19-2)13(9-11)14(10-17)16(18)12-5-7-20-8-6-12/h3-4,9,12,14,16,18H,5-8,10,17H2,1-2H3.
What are the key properties of 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 65185434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).