1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol

C14H23NO4 — CID 43531533

IUPAC1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C14H23NO4/c1-2-17-7-8-18-10-13(16)11-19-14-5-3-12(9-15)4-6-14/h3-6,13,16H,2,7-11,15H2,1H3
InChIKeyQYZQPGDFJJFOKJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.94
Rot. Bonds10

About 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 43531533) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID43531533
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C14H23NO4/c1-2-17-7-8-18-10-13(16)11-19-14-5-3-12(9-15)4-6-14/h3-6,13,16H,2,7-11,15H2,1H3
InChIKeyQYZQPGDFJJFOKJ-UHFFFAOYSA-N
XLogP0.94
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
CID 43531580
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
CID 115495613
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-[4-(aminomethyl)-2-bromophenoxy]-3-butoxypropan-2-ol
CID 107262319

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol (CID 43531533) is 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is QYZQPGDFJJFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-17-7-8-18-10-13(16)11-19-14-5-3-12(9-15)4-6-14/h3-6,13,16H,2,7-11,15H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 43531533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).