4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol

C17H20ClNO2 — CID 62325034

IUPAC4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol
SMILESCCC(C)Oc1cccc(NCc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-3-12(2)21-15-6-4-5-14(10-15)19-11-13-7-8-17(20)16(18)9-13/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyARFFUMYICSXVPO-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.84
Rot. Bonds6

About 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol

4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol (PubChem CID 62325034) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol
PubChem CID62325034
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol
SMILESCCC(C)Oc1cccc(NCc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-3-12(2)21-15-6-4-5-14(10-15)19-11-13-7-8-17(20)16(18)9-13/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyARFFUMYICSXVPO-UHFFFAOYSA-N
XLogP4.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-butan-2-yloxy-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114842274
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
N-[(2-bromo-5-chlorophenyl)methyl]-3-butan-2-yloxyaniline
CID 66160759
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
N-[(4-butan-2-yloxyphenyl)methyl]-3-chloro-4-methylaniline
CID 54797958

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol?
The IUPAC name of 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol (CID 62325034) is 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol.
What is the SMILES notation for 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol?
The canonical SMILES for 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol is CCC(C)Oc1cccc(NCc2ccc(O)c(Cl)c2)c1.
What is the InChIKey of 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol?
The InChIKey is ARFFUMYICSXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-12(2)21-15-6-4-5-14(10-15)19-11-13-7-8-17(20)16(18)9-13/h4-10,12,19-20H,3,11H2,1-2H3.
What are the key properties of 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol?
4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol has a molecular weight of 305.81 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol is sourced from PubChem (CID 62325034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).