1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol

C17H30N2O2 — CID 79481508

IUPAC1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(CC)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C17H30N2O2/c1-4-14(3)11-19(5-2)12-16(20)13-21-17-8-6-15(10-18)7-9-17/h6-9,14,16,20H,4-5,10-13,18H2,1-3H3
InChIKeyFWGZPHIFMRLHDA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.25
Rot. Bonds10

About 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol (PubChem CID 79481508) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
PubChem CID79481508
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(CC)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C17H30N2O2/c1-4-14(3)11-19(5-2)12-16(20)13-21-17-8-6-15(10-18)7-9-17/h6-9,14,16,20H,4-5,10-13,18H2,1-3H3
InChIKeyFWGZPHIFMRLHDA-UHFFFAOYSA-N
XLogP2.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-[[3-[3-(aminomethyl)phenoxy]-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79380270
3-[3-[ethyl(2-methylpropyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43289073
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol (CID 79481508) is 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol is CCC(C)CN(CC)CC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol?
The InChIKey is FWGZPHIFMRLHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-14(3)11-19(5-2)12-16(20)13-21-17-8-6-15(10-18)7-9-17/h6-9,14,16,20H,4-5,10-13,18H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.25, 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-[ethyl(2-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 79481508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).