3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

C14H23NO2 — CID 64897303

IUPAC3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCc1ccc(C(C)C)cc1OCC(N)CCO
InChIInChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)14(8-12)17-9-13(15)6-7-16/h4-5,8,10,13,16H,6-7,9,15H2,1-3H3
InChIKeyRZDCEANBWFMQJL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.21
Rot. Bonds6

About 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (PubChem CID 64897303) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
PubChem CID64897303
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCc1ccc(C(C)C)cc1OCC(N)CCO
InChIInChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)14(8-12)17-9-13(15)6-7-16/h4-5,8,10,13,16H,6-7,9,15H2,1-3H3
InChIKeyRZDCEANBWFMQJL-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2,2-bis[(2-methyl-5-propan-2-ylphenoxy)methyl]propane-1,3-diol
CID 24843314
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
1-bromo-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 112560709
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
2-[2-(bromomethyl)butoxy]-1-methyl-4-propan-2-ylbenzene
CID 64994983
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
1-[4-[2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 2951769
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 51629103
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The IUPAC name of 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (CID 64897303) is 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The canonical SMILES for 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is Cc1ccc(C(C)C)cc1OCC(N)CCO.
What is the InChIKey of 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The InChIKey is RZDCEANBWFMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)14(8-12)17-9-13(15)6-7-16/h4-5,8,10,13,16H,6-7,9,15H2,1-3H3.
What are the key properties of 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is sourced from PubChem (CID 64897303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).