2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol

C16H25NO2 — CID 64811420

IUPAC2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
SMILESCc1ccc(C(C)C)cc1OCC(CO)NC1CC1
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-4-12(3)16(8-13)19-10-15(9-18)17-14-6-7-14/h4-5,8,11,14-15,17-18H,6-7,9-10H2,1-3H3
InChIKeyFKNXFDRIWPHKQI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol

2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol (PubChem CID 64811420) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
PubChem CID64811420
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
SMILESCc1ccc(C(C)C)cc1OCC(CO)NC1CC1
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-4-12(3)16(8-13)19-10-15(9-18)17-14-6-7-14/h4-5,8,11,14-15,17-18H,6-7,9-10H2,1-3H3
InChIKeyFKNXFDRIWPHKQI-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64897303
1-bromo-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 112560709
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34348063

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol (CID 64811420) is 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol is Cc1ccc(C(C)C)cc1OCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is FKNXFDRIWPHKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)13-5-4-12(3)16(8-13)19-10-15(9-18)17-14-6-7-14/h4-5,8,11,14-15,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol?
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 64811420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).