1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol

C17H29NO3 — CID 71336051

IUPAC1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
SMILESCCCOCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-10-20-11-9-15-5-7-17(8-6-15)21-13-16(19)12-18-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3
InChIKeyLERHFDODSDBTKD-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.39
Rot. Bonds11

About 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol

1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol (PubChem CID 71336051) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
PubChem CID71336051
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
SMILESCCCOCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-10-20-11-9-15-5-7-17(8-6-15)21-13-16(19)12-18-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3
InChIKeyLERHFDODSDBTKD-UHFFFAOYSA-N
XLogP2.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
1-(propan-2-ylamino)-3-[4-[2-(2-propan-2-yloxyethoxy)ethyl]phenoxy]propan-2-ol
CID 4713278
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3086127
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethyl)phenoxy]propan-2-ol
CID 59432716
propyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
CID 13040903
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;methylboronic acid
CID 22295643
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;propanoic acid
CID 170341089
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol (CID 71336051) is 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol is CCCOCCc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol?
The InChIKey is LERHFDODSDBTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-10-20-11-9-15-5-7-17(8-6-15)21-13-16(19)12-18-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol?
1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 71336051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).