1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol

C16H28N2O2 — CID 43294523

IUPAC1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-10-18(2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3
InChIKeyIJZYOEPQABATNB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.01
Rot. Bonds10

About 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol (PubChem CID 43294523) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
PubChem CID43294523
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-10-18(2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3
InChIKeyIJZYOEPQABATNB-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914872
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[4-(aminomethyl)phenoxy]-3-butylsulfinylpropan-2-ol
CID 81328669
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 78782909
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
4-[2-hydroxy-3-[5-hydroxypentyl(methyl)amino]propoxy]benzonitrile
CID 107199656
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
4-[2-hydroxy-3-[methyl(propyl)amino]propoxy]benzonitrile
CID 43289032
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol (CID 43294523) is 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol is CCCCCN(C)CC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol?
The InChIKey is IJZYOEPQABATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-5-10-18(2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol is sourced from PubChem (CID 43294523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).