3-(3-tert-butyl-4-methoxyanilino)propan-1-ol

C14H23NO2 — CID 115216613

IUPAC3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NCCCO)cc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-10-11(15-8-5-9-16)6-7-13(12)17-4/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyDEJUTUMIQYCALX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.79
Rot. Bonds5

About 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol

3-(3-tert-butyl-4-methoxyanilino)propan-1-ol (PubChem CID 115216613) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
PubChem CID115216613
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NCCCO)cc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-10-11(15-8-5-9-16)6-7-13(12)17-4/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyDEJUTUMIQYCALX-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
CID 115217345
3-tert-butyl-N-(2-chloroethyl)-4-methoxyaniline
CID 115214568
3-(4-bromo-3-methoxyanilino)propan-1-ol
CID 80526981
methyl 2-(3-tert-butyl-4-methoxyanilino)acetate
CID 115232645
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
3-(3-methoxy-4-nitroanilino)propan-1-ol
CID 63670416
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
N-(2,2-dimethylpropyl)-4-methoxy-3-(trifluoromethyl)aniline
CID 53417290

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol?
The IUPAC name of 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol (CID 115216613) is 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol?
The canonical SMILES for 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol is COc1ccc(NCCCO)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol?
The InChIKey is DEJUTUMIQYCALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-10-11(15-8-5-9-16)6-7-13(12)17-4/h6-7,10,15-16H,5,8-9H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol?
3-(3-tert-butyl-4-methoxyanilino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methoxyanilino)propan-1-ol is sourced from PubChem (CID 115216613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).