1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C17H29NO3 — CID 60898993

IUPAC1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCOc1ccccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C17H29NO3/c1-5-20-17-9-7-6-8-16(17)18-11-15(19)12-21-14(4)10-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3
InChIKeyHQTLGQPMDGTYJU-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds10

About 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60898993) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60898993
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCOc1ccccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C17H29NO3/c1-5-20-17-9-7-6-8-16(17)18-11-15(19)12-21-14(4)10-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3
InChIKeyHQTLGQPMDGTYJU-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
N-(2,2-diethoxyethyl)-2-ethoxyaniline
CID 81093703
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60898993) is 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is CCOc1ccccc1NCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is HQTLGQPMDGTYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-20-17-9-7-6-8-16(17)18-11-15(19)12-21-14(4)10-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60898993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).