(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol

C17H19NO3 — CID 107469550

IUPAC(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(OC3CC3)c2)c1N
InChIInChI=1S/C17H19NO3/c1-20-15-7-3-6-14(16(15)18)17(19)11-4-2-5-13(10-11)21-12-8-9-12/h2-7,10,12,17,19H,8-9,18H2,1H3
InChIKeyPDOMMLDJILLCTC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.90
Rot. Bonds5

About (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol

(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 107469550) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID107469550
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(OC3CC3)c2)c1N
InChIInChI=1S/C17H19NO3/c1-20-15-7-3-6-14(16(15)18)17(19)11-4-2-5-13(10-11)21-12-8-9-12/h2-7,10,12,17,19H,8-9,18H2,1H3
InChIKeyPDOMMLDJILLCTC-UHFFFAOYSA-N
XLogP2.90
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.90
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)-(3,5-dimethoxyphenyl)methanol
CID 107469497
(3-cyclopropyloxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 114521405
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol (CID 107469550) is (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol is COc1cccc(C(O)c2cccc(OC3CC3)c2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is PDOMMLDJILLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-7-3-6-14(16(15)18)17(19)11-4-2-5-13(10-11)21-12-8-9-12/h2-7,10,12,17,19H,8-9,18H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol?
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 285.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 107469550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).