1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol

C15H23NO2 — CID 60900515

IUPAC1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
SMILESCCc1cccc(NCC(O)COCC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-2-12-4-3-5-14(8-12)16-9-15(17)11-18-10-13-6-7-13/h3-5,8,13,15-17H,2,6-7,9-11H2,1H3
InChIKeyVZQUIVPDHPQOLK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol

1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol (PubChem CID 60900515) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
PubChem CID60900515
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
SMILESCCc1cccc(NCC(O)COCC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-2-12-4-3-5-14(8-12)16-9-15(17)11-18-10-13-6-7-13/h3-5,8,13,15-17H,2,6-7,9-11H2,1H3
InChIKeyVZQUIVPDHPQOLK-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900514
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol (CID 60900515) is 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol is CCc1cccc(NCC(O)COCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol?
The InChIKey is VZQUIVPDHPQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-12-4-3-5-14(8-12)16-9-15(17)11-18-10-13-6-7-13/h3-5,8,13,15-17H,2,6-7,9-11H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol is sourced from PubChem (CID 60900515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).