1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol

C15H26N2O3 — CID 61444137

IUPAC1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCN(CCO)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3/c1-2-3-8-17(9-10-18)11-14(19)12-20-15-6-4-13(16)5-7-15/h4-7,14,18-19H,2-3,8-12,16H2,1H3
InChIKeyUQMGYNBTYDPNSO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.10
Rot. Bonds10

About 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol

1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 61444137) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID61444137
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCN(CCO)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3/c1-2-3-8-17(9-10-18)11-14(19)12-20-15-6-4-13(16)5-7-15/h4-7,14,18-19H,2-3,8-12,16H2,1H3
InChIKeyUQMGYNBTYDPNSO-UHFFFAOYSA-N
XLogP1.10
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
1-(4-aminophenoxy)-3-pentylsulfanylpropan-2-ol
CID 107748428
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol;hydrochloride
CID 44784256
1-[2-aminoethyl(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;methane
CID 158405174

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol (CID 61444137) is 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol is CCCCN(CCO)CC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is UQMGYNBTYDPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-8-17(9-10-18)11-14(19)12-20-15-6-4-13(16)5-7-15/h4-7,14,18-19H,2-3,8-12,16H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol?
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.10, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 61444137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).