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

C17H29NO2 — CID 60900514

IUPAC1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1cccc(NCC(O)COCCCC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-15-8-5-9-16(11-15)18-12-17(19)13-20-10-6-7-14(2)3/h5,8-9,11,14,17-19H,4,6-7,10,12-13H2,1-3H3
InChIKeyQGYHMKGIQMPLPU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds10

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

1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60900514) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60900514
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1cccc(NCC(O)COCCCC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-15-8-5-9-16(11-15)18-12-17(19)13-20-10-6-7-14(2)3/h5,8-9,11,14,17-19H,4,6-7,10,12-13H2,1-3H3
InChIKeyQGYHMKGIQMPLPU-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-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-(4-methylpentoxy)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60901755
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
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-fluoro-3-methoxyanilino)-3-(4-methylpentoxy)propan-2-ol
CID 114839425
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol (CID 60900514) is 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol is CCc1cccc(NCC(O)COCCCC(C)C)c1.
What is the InChIKey of 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is QGYHMKGIQMPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-15-8-5-9-16(11-15)18-12-17(19)13-20-10-6-7-14(2)3/h5,8-9,11,14,17-19H,4,6-7,10,12-13H2,1-3H3.
What are the key properties of 1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol?
1-(3-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-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60900514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).