4-[(pentylamino)methoxy]phenol

C12H19NO2 — CID 144616890

IUPAC4-[(pentylamino)methoxy]phenol
SMILESCCCCCNCOc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-4-9-13-10-15-12-7-5-11(14)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyZWQHNDCFTZMJHW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.51
Rot. Bonds7

About 4-[(pentylamino)methoxy]phenol

4-[(pentylamino)methoxy]phenol (PubChem CID 144616890) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(pentylamino)methoxy]phenol.

Molecular Properties

Compound Name4-[(pentylamino)methoxy]phenol
PubChem CID144616890
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[(pentylamino)methoxy]phenol
SMILESCCCCCNCOc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-4-9-13-10-15-12-7-5-11(14)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyZWQHNDCFTZMJHW-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(pentylamino)methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(butylamino)butoxy]phenol
CID 54220189
4-octadecoxyphenol
CID 22179059
4-[2-(pentylamino)ethyl]phenol
CID 61236551
4-[(nonadecylamino)methyl]phenol
CID 70039599
4-(4-tetradecoxyanilino)phenol
CID 174780996
1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea
CID 18183789
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
4-[(2-methylhydrazinyl)methoxy]phenol
CID 58743557
1,4-dibutoxybenzene;phenol
CID 174756360
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796

Frequently Asked Questions

What is the IUPAC name of 4-[(pentylamino)methoxy]phenol?
The IUPAC name of 4-[(pentylamino)methoxy]phenol (CID 144616890) is 4-[(pentylamino)methoxy]phenol.
What is the SMILES notation for 4-[(pentylamino)methoxy]phenol?
The canonical SMILES for 4-[(pentylamino)methoxy]phenol is CCCCCNCOc1ccc(O)cc1.
What is the InChIKey of 4-[(pentylamino)methoxy]phenol?
The InChIKey is ZWQHNDCFTZMJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-9-13-10-15-12-7-5-11(14)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3.
What are the key properties of 4-[(pentylamino)methoxy]phenol?
4-[(pentylamino)methoxy]phenol has a molecular weight of 209.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentylamino)methoxy]phenol is sourced from PubChem (CID 144616890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).