4-[2-(3-methylbutylamino)propyl]phenol

C14H23NO — CID 115493888

IUPAC4-[2-(3-methylbutylamino)propyl]phenol
SMILESCC(C)CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-9-15-12(3)10-13-4-6-14(16)7-5-13/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyBXPFSEFHMOVARG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.96
Rot. Bonds6

About 4-[2-(3-methylbutylamino)propyl]phenol

4-[2-(3-methylbutylamino)propyl]phenol (PubChem CID 115493888) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[2-(3-methylbutylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3-methylbutylamino)propyl]phenol
PubChem CID115493888
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[2-(3-methylbutylamino)propyl]phenol
SMILESCC(C)CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-9-15-12(3)10-13-4-6-14(16)7-5-13/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyBXPFSEFHMOVARG-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(decylamino)propyl]phenol
CID 115494442
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutylamino)propyl]phenol?
The IUPAC name of 4-[2-(3-methylbutylamino)propyl]phenol (CID 115493888) is 4-[2-(3-methylbutylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(3-methylbutylamino)propyl]phenol?
The canonical SMILES for 4-[2-(3-methylbutylamino)propyl]phenol is CC(C)CCNC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(3-methylbutylamino)propyl]phenol?
The InChIKey is BXPFSEFHMOVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)8-9-15-12(3)10-13-4-6-14(16)7-5-13/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of 4-[2-(3-methylbutylamino)propyl]phenol?
4-[2-(3-methylbutylamino)propyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutylamino)propyl]phenol is sourced from PubChem (CID 115493888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).