4-(pentan-3-ylamino)phenol

C11H17NO — CID 43742811

IUPAC4-(pentan-3-ylamino)phenol
SMILESCCC(CC)Nc1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-3-9(4-2)12-10-5-7-11(13)8-6-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyMDOZBKGKICPPRS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.99
Rot. Bonds4

About 4-(pentan-3-ylamino)phenol

4-(pentan-3-ylamino)phenol (PubChem CID 43742811) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(pentan-3-ylamino)phenol.

Molecular Properties

Compound Name4-(pentan-3-ylamino)phenol
PubChem CID43742811
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(pentan-3-ylamino)phenol
SMILESCCC(CC)Nc1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-3-9(4-2)12-10-5-7-11(13)8-6-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyMDOZBKGKICPPRS-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
CID 126713399
4-(1-cyclopropylpropylamino)phenol
CID 64918837
4-(1-phenylpropylamino)phenol
CID 43742837
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
N,N-dimethyl-2-[4-(pentan-3-ylamino)phenyl]acetamide
CID 43720783
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
N-pentan-3-yl-4-(triazol-2-yl)aniline
CID 43740373
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
CID 105462116
4-[1-(4-amino-3-pyridinyl)propylamino]phenol
CID 22164908
5-(4-hydroxyanilino)tridecanoic acid
CID 139938501
4-[1-(4-nitro-3-pyridinyl)propylamino]phenol
CID 22164905
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylamino)phenol?
The IUPAC name of 4-(pentan-3-ylamino)phenol (CID 43742811) is 4-(pentan-3-ylamino)phenol.
What is the SMILES notation for 4-(pentan-3-ylamino)phenol?
The canonical SMILES for 4-(pentan-3-ylamino)phenol is CCC(CC)Nc1ccc(O)cc1.
What is the InChIKey of 4-(pentan-3-ylamino)phenol?
The InChIKey is MDOZBKGKICPPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9(4-2)12-10-5-7-11(13)8-6-10/h5-9,12-13H,3-4H2,1-2H3.
What are the key properties of 4-(pentan-3-ylamino)phenol?
4-(pentan-3-ylamino)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylamino)phenol is sourced from PubChem (CID 43742811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).