1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol

C14H22ClNO4 — CID 60899181

IUPAC1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO4/c1-3-19-6-7-20-10-12(17)9-16-11-4-5-14(18-2)13(15)8-11/h4-5,8,12,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyVOTMLGGYCMOSCO-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.17
Rot. Bonds10

About 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol

1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 60899181) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID60899181
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO4/c1-3-19-6-7-20-10-12(17)9-16-11-4-5-14(18-2)13(15)8-11/h4-5,8,12,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyVOTMLGGYCMOSCO-UHFFFAOYSA-N
XLogP2.17
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(4-chloro-3-methoxyanilino)-3-[2-(oxiran-2-ylmethoxy)ethoxy]propan-2-ol
CID 58517382
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
3-chloro-4-methoxy-N-(2,3,3-trimethylbutyl)aniline
CID 114270442
4-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-3-methoxybenzonitrile
CID 104848700
1-N-(3-chloro-4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 83960372

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol (CID 60899181) is 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is VOTMLGGYCMOSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-3-19-6-7-20-10-12(17)9-16-11-4-5-14(18-2)13(15)8-11/h4-5,8,12,16-17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 303.79 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 60899181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).