3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol

C16H25NO2 — CID 114358352

IUPAC3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
SMILESCCCCc1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-12-5-9-14(10-6-12)19-15(11-18)16(17)13-7-8-13/h5-6,9-10,13,15-16,18H,2-4,7-8,11,17H2,1H3
InChIKeyWUXWKLCTAAICMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds8

About 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol

3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol (PubChem CID 114358352) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
PubChem CID114358352
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
SMILESCCCCc1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-12-5-9-14(10-6-12)19-15(11-18)16(17)13-7-8-13/h5-6,9-10,13,15-16,18H,2-4,7-8,11,17H2,1H3
InChIKeyWUXWKLCTAAICMC-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
CID 114358073
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
methyl 2-(4-butylphenoxy)-2-cyclopropylacetate
CID 113322628
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107168863
N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
CID 115493372
3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
CID 114358382
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
3-(4-butylphenoxy)butan-2-ol
CID 115492969
1-(4-nonylphenoxy)propane-1,2,3-triol
CID 19848413

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol (CID 114358352) is 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol is CCCCc1ccc(OC(CO)C(N)C2CC2)cc1.
What is the InChIKey of 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol?
The InChIKey is WUXWKLCTAAICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-12-5-9-14(10-6-12)19-15(11-18)16(17)13-7-8-13/h5-6,9-10,13,15-16,18H,2-4,7-8,11,17H2,1H3.
What are the key properties of 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol?
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 114358352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).