1-anilino-3-propan-2-yloxypropan-2-ol

C12H19NO2 — CID 2880916

IUPAC1-anilino-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyDRKWHQROPCBLBE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.88
Rot. Bonds6

About 1-anilino-3-propan-2-yloxypropan-2-ol

1-anilino-3-propan-2-yloxypropan-2-ol (PubChem CID 2880916) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-anilino-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-anilino-3-propan-2-yloxypropan-2-ol
PubChem CID2880916
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-anilino-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyDRKWHQROPCBLBE-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-anilino-3-chloropropan-2-ol
CID 3640254
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 81260100
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578
2-(3-anilino-2-hydroxypropoxy)iminopropanoic acid
CID 54315431

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-anilino-3-propan-2-yloxypropan-2-ol (CID 2880916) is 1-anilino-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-anilino-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-anilino-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-propan-2-yloxypropan-2-ol?
The InChIKey is DRKWHQROPCBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 1-anilino-3-propan-2-yloxypropan-2-ol?
1-anilino-3-propan-2-yloxypropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 2880916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).