1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol

C16H26ClNO3 — CID 60897922

IUPAC1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO3/c1-3-4-5-6-9-21-12-14(19)11-18-15-10-13(17)7-8-16(15)20-2/h7-8,10,14,18-19H,3-6,9,11-12H2,1-2H3
InChIKeyNQIOUHRYOJUAHB-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.72
Rot. Bonds11

About 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol

1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol (PubChem CID 60897922) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
PubChem CID60897922
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO3/c1-3-4-5-6-9-21-12-14(19)11-18-15-10-13(17)7-8-16(15)20-2/h7-8,10,14,18-19H,3-6,9,11-12H2,1-2H3
InChIKeyNQIOUHRYOJUAHB-UHFFFAOYSA-N
XLogP3.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.72
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-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60908651
1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(4-bromo-2,3-dichloroanilino)-3-hexoxypropan-2-ol
CID 107788952
1-(3,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60898959

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol (CID 60897922) is 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol is CCCCCCOCC(O)CNc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol?
The InChIKey is NQIOUHRYOJUAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-3-4-5-6-9-21-12-14(19)11-18-15-10-13(17)7-8-16(15)20-2/h7-8,10,14,18-19H,3-6,9,11-12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol?
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol has a molecular weight of 315.84 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol is sourced from PubChem (CID 60897922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).