2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol

C18H21NO2 — CID 79973388

IUPAC2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NC(CO)c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17-10-8-16(9-11-17)19-18(12-20)15-6-4-14(5-7-15)13-2-3-13/h4-11,13,18-20H,2-3,12H2,1H3
InChIKeyRIYQGQMUFLXPQN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.72
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol

2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol (PubChem CID 79973388) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol
PubChem CID79973388
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NC(CO)c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17-10-8-16(9-11-17)19-18(12-20)15-6-4-14(5-7-15)13-2-3-13/h4-11,13,18-20H,2-3,12H2,1H3
InChIKeyRIYQGQMUFLXPQN-UHFFFAOYSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
4-chloro-N-[1,1,1-trifluoro-3-[4-(4-methoxyphenyl)cyclohexyl]propan-2-yl]aniline
CID 121318858
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol (CID 79973388) is 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol is COc1ccc(NC(CO)c2ccc(C3CC3)cc2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol?
The InChIKey is RIYQGQMUFLXPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17-10-8-16(9-11-17)19-18(12-20)15-6-4-14(5-7-15)13-2-3-13/h4-11,13,18-20H,2-3,12H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol?
2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol is sourced from PubChem (CID 79973388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).