N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine

C16H23FN2 — CID 107455460

IUPACN-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
SMILESC#CCN(CC)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H23FN2/c1-5-9-19(6-2)12-15-10-14(7-8-16(15)17)11-18-13(3)4/h1,7-8,10,13,18H,6,9,11-12H2,2-4H3
InChIKeyOXVGQWPDKSRPOD-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.78
Rot. Bonds7

About N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine

N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 107455460) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
PubChem CID107455460
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
SMILESC#CCN(CC)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H23FN2/c1-5-9-19(6-2)12-15-10-14(7-8-16(15)17)11-18-13(3)4/h1,7-8,10,13,18H,6,9,11-12H2,2-4H3
InChIKeyOXVGQWPDKSRPOD-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-ethylprop-2-yn-1-amine
CID 107455452
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 107455464
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-[(3-ethynyl-4-fluorophenyl)methyl]propan-2-amine
CID 130535101
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-ethylpropan-1-amine
CID 102769494
N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 107455541
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine (CID 107455460) is N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine is C#CCN(CC)Cc1cc(CNC(C)C)ccc1F.
What is the InChIKey of N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is OXVGQWPDKSRPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-5-9-19(6-2)12-15-10-14(7-8-16(15)17)11-18-13(3)4/h1,7-8,10,13,18H,6,9,11-12H2,2-4H3.
What are the key properties of N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 262.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 107455460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).