2,3-bis(3-propoxypropylamino)phenol

C18H32N2O3 — CID 155229194

IUPAC2,3-bis(3-propoxypropylamino)phenol
SMILESCCCOCCCNc1cccc(O)c1NCCCOCCC
InChIInChI=1S/C18H32N2O3/c1-3-12-22-14-6-10-19-16-8-5-9-17(21)18(16)20-11-7-15-23-13-4-2/h5,8-9,19-21H,3-4,6-7,10-15H2,1-2H3
InChIKeyVGGWGCSWFZJILM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.85
Rot. Bonds14

About 2,3-bis(3-propoxypropylamino)phenol

2,3-bis(3-propoxypropylamino)phenol (PubChem CID 155229194) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,3-bis(3-propoxypropylamino)phenol.

Molecular Properties

Compound Name2,3-bis(3-propoxypropylamino)phenol
PubChem CID155229194
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2,3-bis(3-propoxypropylamino)phenol
SMILESCCCOCCCNc1cccc(O)c1NCCCOCCC
InChIInChI=1S/C18H32N2O3/c1-3-12-22-14-6-10-19-16-8-5-9-17(21)18(16)20-11-7-15-23-13-4-2/h5,8-9,19-21H,3-4,6-7,10-15H2,1-2H3
InChIKeyVGGWGCSWFZJILM-UHFFFAOYSA-N
XLogP3.85
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(octylamino)phenol
CID 67224440
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
2,3-bis[(3-decoxy-2-hydroxypropyl)amino]phenol
CID 155231458
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
3-(3-propoxypropylamino)pyridine-4-carbothioamide
CID 82940958
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
2,3-difluoro-4-(3-propoxypropylamino)benzoic acid
CID 82944096
2-(hexadecylamino)phenol
CID 154256819
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
4-methyl-2-(3-propoxypropylamino)benzenecarbothioamide
CID 82939999

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-propoxypropylamino)phenol?
The IUPAC name of 2,3-bis(3-propoxypropylamino)phenol (CID 155229194) is 2,3-bis(3-propoxypropylamino)phenol.
What is the SMILES notation for 2,3-bis(3-propoxypropylamino)phenol?
The canonical SMILES for 2,3-bis(3-propoxypropylamino)phenol is CCCOCCCNc1cccc(O)c1NCCCOCCC.
What is the InChIKey of 2,3-bis(3-propoxypropylamino)phenol?
The InChIKey is VGGWGCSWFZJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-12-22-14-6-10-19-16-8-5-9-17(21)18(16)20-11-7-15-23-13-4-2/h5,8-9,19-21H,3-4,6-7,10-15H2,1-2H3.
What are the key properties of 2,3-bis(3-propoxypropylamino)phenol?
2,3-bis(3-propoxypropylamino)phenol has a molecular weight of 324.47 g/mol, XLogP of 3.85, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-propoxypropylamino)phenol is sourced from PubChem (CID 155229194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).