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

C17H29NO3 — CID 60896578

IUPAC1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-13(2)15-5-7-16(8-6-15)18-11-17(19)12-20-9-10-21-14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyXPNZZSRKEDWFRA-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.02
Rot. Bonds10

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

1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 60896578) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID60896578
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-13(2)15-5-7-16(8-6-15)18-11-17(19)12-20-9-10-21-14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3
InChIKeyXPNZZSRKEDWFRA-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.02
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-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol
CID 60896579
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 115377776
1-(2-propan-2-yloxyethoxy)-3-(2,4,5-trichloroanilino)propan-2-ol
CID 60896346
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(3,4-dichlorophenoxy)-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725828
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 60896578) is 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is XPNZZSRKEDWFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)15-5-7-16(8-6-15)18-11-17(19)12-20-9-10-21-14(3)4/h5-8,13-14,17-19H,9-12H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 60896578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).