(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol

C16H19NO2 — CID 100804058

IUPAC(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2cc(C)ccc2C)cc1N
InChIInChI=1S/C16H19NO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-15(19-3)14(17)9-12/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyUWMDATMFDQPSPL-MRXNPFEDSA-N
MW257.33 g/mol
LogP2.98
Rot. Bonds3

About (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol

(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol (PubChem CID 100804058) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
PubChem CID100804058
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2cc(C)ccc2C)cc1N
InChIInChI=1S/C16H19NO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-15(19-3)14(17)9-12/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyUWMDATMFDQPSPL-MRXNPFEDSA-N
XLogP2.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490

Frequently Asked Questions

What is the IUPAC name of (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol (CID 100804058) is (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol is COc1ccc([C@@H](O)c2cc(C)ccc2C)cc1N.
What is the InChIKey of (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol?
The InChIKey is UWMDATMFDQPSPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-15(19-3)14(17)9-12/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1.
What are the key properties of (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol?
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol has a molecular weight of 257.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 100804058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).