2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol

C19H25NO2 — CID 129035187

IUPAC2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol
SMILESCC(C)c1ccc(Oc2cccc(NC(O)C(C)C)c2)cc1
InChIInChI=1S/C19H25NO2/c1-13(2)15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-19(21)14(3)4/h5-14,19-21H,1-4H3
InChIKeyUSCLFRXHUSZENJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.99
Rot. Bonds6

About 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol

2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol (PubChem CID 129035187) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol
PubChem CID129035187
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol
SMILESCC(C)c1ccc(Oc2cccc(NC(O)C(C)C)c2)cc1
InChIInChI=1S/C19H25NO2/c1-13(2)15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-19(21)14(3)4/h5-14,19-21H,1-4H3
InChIKeyUSCLFRXHUSZENJ-UHFFFAOYSA-N
XLogP4.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
(1R,2R)-2-amino-1-[[2-(3-propan-2-ylphenoxy)pyrimidin-5-yl]amino]propan-1-ol
CID 118928201
anilino-[3-(4-methylphenoxy)phenyl]methanol
CID 142160349
CID 91869714
CID 91869714
[4-[3-[3-(2-methylbutan-2-yloxy)anilino]phenoxy]phenyl]-(4-propan-2-ylphenyl)methanone
CID 130400556
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
N,N-dimethyl-2-(3-phenoxyanilino)propanamide
CID 60671864
3-methyl-1-[[4-[3-(propan-2-ylamino)phenoxy]phenyl]methoxy]butan-2-one
CID 126654781
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol?
The IUPAC name of 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol (CID 129035187) is 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol?
The canonical SMILES for 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol is CC(C)c1ccc(Oc2cccc(NC(O)C(C)C)c2)cc1.
What is the InChIKey of 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol?
The InChIKey is USCLFRXHUSZENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(2)15-8-10-17(11-9-15)22-18-7-5-6-16(12-18)20-19(21)14(3)4/h5-14,19-21H,1-4H3.
What are the key properties of 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol?
2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-propan-2-ylphenoxy)anilino]propan-1-ol is sourced from PubChem (CID 129035187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).