1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol

C17H29NO2 — CID 60900494

IUPAC1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1ccc(NCC(O)COCCCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-4-15-7-9-16(10-8-15)18-12-17(19)13-20-11-5-6-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyNZQKHNBEZMWUNW-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds10

About 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol

1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60900494) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60900494
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1ccc(NCC(O)COCCCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-4-15-7-9-16(10-8-15)18-12-17(19)13-20-11-5-6-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyNZQKHNBEZMWUNW-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.47
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-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900514
1-(3,4-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60898960
1-(3-bromo-4-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 63333784
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-[4-[(4-aminophenyl)methyl]anilino]-3-butoxypropan-2-ol
CID 3023127
1-(4-fluoro-3-methoxyanilino)-3-(4-methylpentoxy)propan-2-ol
CID 114839425
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-(4-methylpentoxy)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60901755
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
1-hexoxy-3-(4-propan-2-ylanilino)propan-2-ol
CID 60896579
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 107462805

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol (CID 60900494) is 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol is CCc1ccc(NCC(O)COCCCC(C)C)cc1.
What is the InChIKey of 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is NZQKHNBEZMWUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-15-7-9-16(10-8-15)18-12-17(19)13-20-11-5-6-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).