2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol

C13H21FN2O — CID 113426132

IUPAC2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
SMILESCCNCc1cc(F)ccc1N(C)C(C)CO
InChIInChI=1S/C13H21FN2O/c1-4-15-8-11-7-12(14)5-6-13(11)16(3)10(2)9-17/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyMJHVQANJTXFFAS-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.75
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol

2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol (PubChem CID 113426132) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
PubChem CID113426132
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
SMILESCCNCc1cc(F)ccc1N(C)C(C)CO
InChIInChI=1S/C13H21FN2O/c1-4-15-8-11-7-12(14)5-6-13(11)16(3)10(2)9-17/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyMJHVQANJTXFFAS-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol (CID 113426132) is 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol is CCNCc1cc(F)ccc1N(C)C(C)CO.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol?
The InChIKey is MJHVQANJTXFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-15-8-11-7-12(14)5-6-13(11)16(3)10(2)9-17/h5-7,10,15,17H,4,8-9H2,1-3H3.
What are the key properties of 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol?
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol is sourced from PubChem (CID 113426132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).