1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol

C14H23FN2O — CID 60900020

IUPAC1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-17(4-2)11-14(18)10-16-9-12-6-5-7-13(15)8-12/h5-8,14,16,18H,3-4,9-11H2,1-2H3
InChIKeyLLTVUBUDNVPIEA-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.62
Rot. Bonds8

About 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol

1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol (PubChem CID 60900020) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
PubChem CID60900020
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-17(4-2)11-14(18)10-16-9-12-6-5-7-13(15)8-12/h5-8,14,16,18H,3-4,9-11H2,1-2H3
InChIKeyLLTVUBUDNVPIEA-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-N,1-N-diethyl-2-N-[1-(3-fluorophenyl)propan-2-yl]propane-1,2-diamine
CID 115716941
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
CID 142275035
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol (CID 60900020) is 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCc1cccc(F)c1.
What is the InChIKey of 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is LLTVUBUDNVPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-17(4-2)11-14(18)10-16-9-12-6-5-7-13(15)8-12/h5-8,14,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 254.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60900020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).