3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine

C16H21FN2 — CID 63865908

IUPAC3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
SMILESCC1CC1CN(C)Cc1ccc(F)cc1C#CCN
InChIInChI=1S/C16H21FN2/c1-12-8-15(12)11-19(2)10-14-5-6-16(17)9-13(14)4-3-7-18/h5-6,9,12,15H,7-8,10-11,18H2,1-2H3
InChIKeyCESUAYAFZNXVCL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.22
Rot. Bonds4

About 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine

3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine (PubChem CID 63865908) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
PubChem CID63865908
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
SMILESCC1CC1CN(C)Cc1ccc(F)cc1C#CCN
InChIInChI=1S/C16H21FN2/c1-12-8-15(12)11-19(2)10-14-5-6-16(17)9-13(14)4-3-7-18/h5-6,9,12,15H,7-8,10-11,18H2,1-2H3
InChIKeyCESUAYAFZNXVCL-UHFFFAOYSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.22
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-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 64768719
N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968871
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
3-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-ethylamino]propanenitrile
CID 54988651
2-[[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]acetamide
CID 54970140
3-[2-(butylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 54970167
[3-fluoro-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]boronic acid
CID 63865557
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol
CID 103357972

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine (CID 63865908) is 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine is CC1CC1CN(C)Cc1ccc(F)cc1C#CCN.
What is the InChIKey of 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is CESUAYAFZNXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-12-8-15(12)11-19(2)10-14-5-6-16(17)9-13(14)4-3-7-18/h5-6,9,12,15H,7-8,10-11,18H2,1-2H3.
What are the key properties of 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine?
3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 260.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63865908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).