3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol

C14H23FN2O2 — CID 84753642

IUPAC3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
SMILESCCN(CCO)c1cc(CNCCCO)ccc1F
InChIInChI=1S/C14H23FN2O2/c1-2-17(7-9-19)14-10-12(4-5-13(14)15)11-16-6-3-8-18/h4-5,10,16,18-19H,2-3,6-9,11H2,1H3
InChIKeyHIVVUNJPUVUGPP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.12
Rot. Bonds9

About 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol

3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol (PubChem CID 84753642) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
PubChem CID84753642
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
SMILESCCN(CCO)c1cc(CNCCCO)ccc1F
InChIInChI=1S/C14H23FN2O2/c1-2-17(7-9-19)14-10-12(4-5-13(14)15)11-16-6-3-8-18/h4-5,10,16,18-19H,2-3,6-9,11H2,1H3
InChIKeyHIVVUNJPUVUGPP-UHFFFAOYSA-N
XLogP1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753512
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
N',N'-diethyl-N-[(4-fluoro-3-methylphenyl)methyl]propane-1,3-diamine
CID 55040345
4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
CID 84746988

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol (CID 84753642) is 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol is CCN(CCO)c1cc(CNCCCO)ccc1F.
What is the InChIKey of 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The InChIKey is HIVVUNJPUVUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-2-17(7-9-19)14-10-12(4-5-13(14)15)11-16-6-3-8-18/h4-5,10,16,18-19H,2-3,6-9,11H2,1H3.
What are the key properties of 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol is sourced from PubChem (CID 84753642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).