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

C16H18FNO3 — CID 43531496

IUPAC1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COc1ccccc1F
InChIInChI=1S/C16H18FNO3/c17-14-6-2-4-8-16(14)21-11-13(19)10-20-15-7-3-1-5-12(15)9-18/h1-8,13,19H,9-11,18H2
InChIKeyKMFCQFMURZKDRP-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.10
Rot. Bonds7

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

1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 43531496) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID43531496
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COc1ccccc1F
InChIInChI=1S/C16H18FNO3/c17-14-6-2-4-8-16(14)21-11-13(19)10-20-15-7-3-1-5-12(15)9-18/h1-8,13,19H,9-11,18H2
InChIKeyKMFCQFMURZKDRP-UHFFFAOYSA-N
XLogP2.10
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
CID 62115597
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
2-fluoro-3-(2-fluorophenoxy)propan-1-amine
CID 105442441
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63694109
1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
CID 43265458
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol (CID 43531496) is 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol is NCc1ccccc1OCC(O)COc1ccccc1F.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is KMFCQFMURZKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-14-6-2-4-8-16(14)21-11-13(19)10-20-15-7-3-1-5-12(15)9-18/h1-8,13,19H,9-11,18H2.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 291.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 43531496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).