(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol

C16H19NO3 — CID 100803991

IUPAC(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2cccc(N)c2C)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-10-12(5-4-6-14(10)17)16(18)13-8-7-11(19-2)9-15(13)20-3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyLDIICJXKAZOYEE-MRXNPFEDSA-N
MW273.33 g/mol
LogP2.68
Rot. Bonds4

About (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol

(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 100803991) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
PubChem CID100803991
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2cccc(N)c2C)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-10-12(5-4-6-14(10)17)16(18)13-8-7-11(19-2)9-15(13)20-3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyLDIICJXKAZOYEE-MRXNPFEDSA-N
XLogP2.68
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanol
CID 63553982
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695

Frequently Asked Questions

What is the IUPAC name of (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol (CID 100803991) is (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol is COc1ccc([C@H](O)c2cccc(N)c2C)c(OC)c1.
What is the InChIKey of (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is LDIICJXKAZOYEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-12(5-4-6-14(10)17)16(18)13-8-7-11(19-2)9-15(13)20-3/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1.
What are the key properties of (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol?
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 273.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 100803991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).