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

C16H26N2O2 — CID 43568840

IUPAC1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
SMILESCC(C1CC1)N(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(14-5-6-14)18(2)10-15(19)11-20-16-7-3-13(9-17)4-8-16/h3-4,7-8,12,14-15,19H,5-6,9-11,17H2,1-2H3
InChIKeyUAQLCUHBOOJAMH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.62
Rot. Bonds8

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

1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol (PubChem CID 43568840) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
PubChem CID43568840
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
SMILESCC(C1CC1)N(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(14-5-6-14)18(2)10-15(19)11-20-16-7-3-13(9-17)4-8-16/h3-4,7-8,12,14-15,19H,5-6,9-11,17H2,1-2H3
InChIKeyUAQLCUHBOOJAMH-UHFFFAOYSA-N
XLogP1.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol with MolForge

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Related Compounds

N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 86993421
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
CID 43531580
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914872
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol (CID 43568840) is 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol is CC(C1CC1)N(C)CC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol?
The InChIKey is UAQLCUHBOOJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(14-5-6-14)18(2)10-15(19)11-20-16-7-3-13(9-17)4-8-16/h3-4,7-8,12,14-15,19H,5-6,9-11,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.62, 8 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-[1-cyclopropylethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 43568840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).