1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol

C18H31NO2 — CID 60896579

IUPAC1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol
SMILESCCCCCCOCC(O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-12-21-14-18(20)13-19-17-10-8-16(9-11-17)15(2)3/h8-11,15,18-20H,4-7,12-14H2,1-3H3
InChIKeyIQZAWGNTQLGIRX-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.18
Rot. Bonds11

About 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol

1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol (PubChem CID 60896579) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol
PubChem CID60896579
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol
SMILESCCCCCCOCC(O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-12-21-14-18(20)13-19-17-10-8-16(9-11-17)15(2)3/h8-11,15,18-20H,4-7,12-14H2,1-3H3
InChIKeyIQZAWGNTQLGIRX-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-hexoxy-3-(4-methoxyanilino)propan-2-ol
CID 60900152
1-hexoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 60898444
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578
1-(3,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60898959
1-[4-[(4-aminophenyl)methyl]anilino]-3-butoxypropan-2-ol
CID 3023127
1-butoxy-3-(4-methylsulfonylanilino)propan-2-ol
CID 107262488
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60908651
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol (CID 60896579) is 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol is CCCCCCOCC(O)CNc1ccc(C(C)C)cc1.
What is the InChIKey of 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol?
The InChIKey is IQZAWGNTQLGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-7-12-21-14-18(20)13-19-17-10-8-16(9-11-17)15(2)3/h8-11,15,18-20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol?
1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 60896579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).