1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

C15H24ClNO4 — CID 60897921

IUPAC1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1NCC(O)COCCOC(C)C
InChIInChI=1S/C15H24ClNO4/c1-11(2)21-7-6-20-10-13(18)9-17-14-8-12(16)4-5-15(14)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3
InChIKeyRNTBGQXQRVUFQT-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.56
Rot. Bonds10

About 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 60897921) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID60897921
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1NCC(O)COCCOC(C)C
InChIInChI=1S/C15H24ClNO4/c1-11(2)21-7-6-20-10-13(18)9-17-14-8-12(16)4-5-15(14)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3
InChIKeyRNTBGQXQRVUFQT-UHFFFAOYSA-N
XLogP2.56
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(2-propan-2-yloxyethoxy)-3-(2,4,5-trichloroanilino)propan-2-ol
CID 60896346
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451352
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 60897921) is 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is COc1ccc(Cl)cc1NCC(O)COCCOC(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is RNTBGQXQRVUFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-11(2)21-7-6-20-10-13(18)9-17-14-8-12(16)4-5-15(14)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 317.81 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 60897921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).